MCULE-4648711215
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
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|
|---|---|---|---|---|
| 1 mg | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4648711215.sdf |
| SMILES | MCULE-4648711215.smiles |
| Standard InChI | MCULE-4648711215.inchi |
| InChIKey | MCULE-4648711215.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875702606 | 98 | As is | in stock |
| P-875716720 | 98 | As is | in stock |
| P-597016727 | 95 | As is | unavailable |
| P-903027274 | 95 | As is | 1.5 kg |
| P-903044418 | 98 | As is | 1000 g |
| P-1264054726 | 99 | As is | in stock |
| P-1264054727 | 99 | As is | in stock |
| P-905485596 | 98 | As is | 100 g |
| P-489194378 | 97 | As is | in stock |
| P-25954065 | 85 | As is | 100 mg |
| P-580733026 | 98 | As is | 1.255 kg |
| P-580723039 | 95 | As is | 760 g |
| P-452654081 | 98 | As is | in stock |
| P-868577411 | 98 | As is | in stock |
| P-868661706 | 95 | As is | in stock |
| P-608114235 | 95 | As is | in stock |
| P-1272574862 | N/A | As is | 500 g |
| P-1272568737 | N/A | As is | 25 g |
| P-852394782 | N/A | As is | by synthesis |
| P-852425328 | N/A | As is | by synthesis |
| P-874452662 | 95 | As is | in stock |
| P-854690881 | 95 | As is | in stock |
| P-1263154861 | 95 | As is | by synthesis |
| P-896070874 | 95 | As is | in stock |
| P-608280466 | 98 | As is | in stock |
| P-867546128 | 98 | As an isomer | in stock |
| P-867556871 | 98 | As an isomer | in stock |
| P-1275144483 | 95 | As an isomer | in stock |
| P-1275174364 | 98 | As an isomer | in stock |
| P-905479287 | 98 | As an isomer | 1000 g |
| P-1270404633 | 99 | As an isomer | in stock |
| P-1270380283 | 95 | As an isomer | in stock |
| P-580235481 | 95 | As an isomer | by synthesis |
| P-606911781 | N/A | As an isomer | in stock |
| P-606926227 | N/A | As an isomer | in stock |
| P-596939585 | 98 | As an isomer | 500 g |
| P-596943857 | 98 | As an isomer | 1000 g |
| P-494345129 | 95 | As an isomer | 69 g |
| P-1273456963 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864184524 | 95 | As an isomer | in stock |
| P-864110626 | 97 | As an isomer | in stock |
| P-1263590766 | 95 | As an isomer | by synthesis |
| P-893227798 | 95 | As an isomer | in stock |
| P-619926652 | 90 | As an isomer | by synthesis |
| P-607694728 | 90 | As an isomer | 26 mg |
| P-436451087 | 95 | As an isomer | in stock |
| P-878237047 | 95 | As an isomer | by synthesis |
| P-34818824 | 90 | As an isomer | by synthesis |
| P-580417489 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-905354919 | 98 | As an isomer | 25 g |
| P-905330361 | 95 | As an isomer | 300 g |
| P-861934819 | 95 | As an isomer | 3.13124 kg |
| P-901367642 | 95 | As an isomer | 32.5 g |
| P-905409998 | 98 | As an isomer | 1.99662 kg |
| P-870661984 | 99 | As an isomer | in stock |
| P-890209330 | 90 | As an isomer | in stock |
| P-579511505 | 90 | As an isomer | 1.5 g |
| P-505491438 | 95 | As an isomer | in stock |
| P-502468542 | 95 | As an isomer | by synthesis |
| P-503826025 | 90 | As an isomer | by synthesis |
| P-492214205 | 95 | As an isomer | in stock |
| P-502715144 | 90 | As an isomer | in stock |
| P-488543248 | 90 | As an isomer | in stock |
| P-13907294 | 92 | As an isomer | 300 mg |
| P-855983346 | 97 | As an isomer | 100 g |
| P-454382503 | 95 | As an isomer | 47.994 g |
| P-18751721 | 95 | As an isomer | 7.994 g |
| P-31270548 | 90 | As an isomer | 10 g |
| P-613281383 | 95 | As an isomer | by synthesis |
| P-580460644 | N/A | As an isomer | by synthesis |
| P-492273387 | 90 | As an isomer | 5 g |
| P-12294086 | 90 | As an isomer | 5 g |
| P-454363493 | 92 | As an isomer | in stock |
| P-500403402 | 99 | As an isomer | by synthesis |
| P-885515500 | 95 | As an isomer | by synthesis |
| P-23851118 | 90 | As an isomer | in stock |
| P-617404860 | 98 | As an isomer | in stock |
| P-896073128 | N/A | As an isomer | 13 mg |
| P-851364999 | 95 | As an isomer | 3.1443 kg |
| P-1274328337 | 95 | As an isomer | in stock |
| P-869176739 | 95 | As an isomer | in stock |
| P-1274334025 | 95 | As an isomer | unavailable |
| P-892294004 | 95 | As an isomer | unavailable |
| P-594273302 | 95 | As an isomer | 200 mg |
| P-869159362 | 95 | As an isomer | 4.96 g |
| P-888654939 | 95 | As an isomer | 4.96 g |
| P-892333871 | 95 | As an isomer | 200 mg |
| P-502330413 | 90 | As an isomer | in stock |
| P-22535021 | 90 | As an isomer | 49 mg |
| P-1272898268 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-906767150 | 98 | As an isomer | by synthesis |
| P-611521883 | 90 | As an isomer | in stock |
| P-855249246 | 90 | As an isomer | in stock |
| P-580449210 | 97 | As an isomer | in stock |
| P-25015859 | 90 | As an isomer | 4.742 g |
| P-3226615 | 90 | As an isomer | 4.742 g |
| P-1271645393 | 98 | As an isomer | in stock |
| P-1271632220 | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.210 |
| logP | 1.8016 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 55.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.0958 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

