MCULE-4102614655
- 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.
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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 | 3 USD | 99 | 14 working days | Get Quote |
| 5 mg | 3 USD | 99 | 14 working days | Get Quote |
| 10 mg | 3 USD | 99 | 14 working days | Get Quote |
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MCULE-1508337137
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4102614655.sdf |
| SMILES | MCULE-4102614655.smiles |
| Standard InChI | MCULE-4102614655.inchi |
| InChIKey | MCULE-4102614655.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903053750 | 99 | As is | 3 kg |
| P-905480307 | 98 | As is | 100 g |
| P-893301557 | 95 | As is | in stock |
| P-489140537 | 97 | As is | in stock |
| P-580733684 | 98 | As is | 2.25 kg |
| P-868576815 | 98 | As is | in stock |
| P-905350803 | 98 | As is | 1.92 kg |
| P-862084838 | 98 | As is | 114.332 kg |
| P-493677448 | N/A | As is | in stock |
| P-579614035 | 99 | As is | in stock |
| P-852444031 | 95 | As is | by synthesis |
| P-854691744 | 95 | As is | in stock |
| P-896628151 | 95 | As is | by synthesis |
| P-619672499 | 98 | As is | in stock |
| P-617403607 | 98 | As is | in stock |
| P-606957335 | 98 | As a main component | by synthesis |
| P-895514442 | 95 | As a main component | by synthesis |
| P-867586149 | 98 | As an isomer | in stock |
| P-875745226 | 98 | As an isomer | in stock |
| P-1275176001 | 98 | As an isomer | in stock |
| P-1275185221 | N/A | As an isomer | in stock |
| P-1275156385 | 98 | As an isomer | in stock |
| P-1275146207 | 95 | As an isomer | in stock |
| P-903075993 | 98 | As an isomer | 973 g |
| P-905480633 | 97 | As an isomer | 1000 g |
| P-1270385547 | 98 | As an isomer | in stock |
| P-606907473 | N/A | As an isomer | in stock |
| P-489165091 | 97 | As an isomer | in stock |
| P-675187367 | 70 | As an isomer | 41 mg |
| P-596954407 | 98 | As an isomer | 973 g |
| P-494304311 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-1273340422 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-580707082 | 98 | As an isomer | 650 g |
| P-901467904 | 95 | As an isomer | by synthesis |
| P-1274380453 | 95 | As an isomer | in stock |
| P-454715678 | 90 | As an isomer | in stock |
| P-449699854 | 90 | As an isomer | 131 mg |
| P-436453910 | 95 | As an isomer | in stock |
| P-578527111 | 90 | As an isomer | in stock |
| P-868598032 | 97 | As an isomer | in stock |
| P-580401928 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-862029051 | 97 | As an isomer | 28.6519 kg |
| P-901374736 | 97 | As an isomer | 19 g |
| P-905345853 | 97 | As an isomer | 250 g |
| P-500418263 | 98 | As an isomer | in stock |
| P-608220293 | 99 | As an isomer | in stock |
| P-500418262 | 98 | As an isomer | in stock |
| P-870663215 | 99 | As an isomer | in stock |
| P-505493122 | 95 | As an isomer | in stock |
| P-890849231 | 95 | As an isomer | in stock |
| P-579621349 | 98 | As an isomer | in stock |
| P-31250051 | 90 | As an isomer | unavailable |
| P-856044353 | 90 | As an isomer | unavailable |
| P-613282659 | 95 | As an isomer | by synthesis |
| P-580477143 | N/A | As an isomer | by synthesis |
| P-588252963 | N/A | As an isomer | by synthesis |
| P-1272571672 | 97 | As an isomer | 200 g |
| P-852407527 | 97 | As an isomer | by synthesis |
| P-35240603 | 90 | As an isomer | in stock |
| P-854693873 | 95 | As an isomer | in stock |
| P-1263155451 | 95 | As an isomer | by synthesis |
| P-584626937 | 95 | As an isomer | in stock |
| P-608276822 | 98 | As an isomer | in stock |
| P-878649154 | 98 | As an isomer | in stock |
| P-500378657 | 98 | As an isomer | by synthesis |
| P-885523032 | 95 | As an isomer | by synthesis |
| P-424807532 | 90 | As an isomer | in stock |
| P-498656312 | 97 | As an isomer | 67.6333 kg |
| P-870518095 | 97 | As an isomer | 1.614 kg |
| P-869179540 | 95 | As an isomer | in stock |
| P-892301400 | 95 | As an isomer | unavailable |
| P-892278190 | 95 | As an isomer | 4.323 g |
| P-892353921 | 95 | As an isomer | 4.32 g |
| P-33162300 | 90 | As an isomer | 1000 mg |
| P-906760742 | 99 | As an isomer | by synthesis |
| P-906777745 | 99 | As an isomer | by synthesis |
| P-611382453 | 90 | As an isomer | in stock |
| P-438817 | 90 | As an isomer | 2.076 g |
| P-3220515 | 90 | As an isomer | 2.076 g |
| P-3240012 | 90 | As an isomer | 2.076 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.225 |
| logP | 1.8226 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 79.11 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.3579 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

