MCULE-4021115723-0
- 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.
|
|
|---|---|---|---|---|
| 1 mg | 7 USD | 95 | 14 working days | Get Quote |
| 5 mg | 7 USD | 95 | 14 working days | Get Quote |
| 10 mg | 7 USD | 95 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4021115723-0.sdf |
| SMILES | MCULE-4021115723-0.smiles |
| Standard InChI | MCULE-4021115723-0.inchi |
| InChIKey | MCULE-4021115723-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903056730 | 95 | As is | 100 g |
| P-1264058858 | 98 | As is | in stock |
| P-1264059540 | 98 | As is | in stock |
| P-893443325 | 90 | As is | 210.64 g |
| P-851305782 | 95 | As is | by synthesis |
| P-868599710 | 97 | As is | in stock |
| P-905350773 | 95 | As is | 18.55 g |
| P-862082679 | 95 | As is | 57.436 g |
| P-852482942 | 95 | As is | by synthesis |
| P-854692016 | 95 | As is | in stock |
| P-904639694 | 95 | As is | in stock |
| P-888854939 | N/A | As is | in stock |
| P-615649444 | 95 | As is | unavailable |
| P-867568530 | 98 | As an isomer | in stock |
| P-1274660638 | 95 | As an isomer | by synthesis |
| P-875728862 | 98 | As an isomer | in stock |
| P-597014368 | 95 | As an isomer | unavailable |
| P-1275176686 | 95 | As an isomer | in stock |
| P-903058226 | 95 | As an isomer | 25 g |
| P-893587856 | 90 | As an isomer | 203.68 g |
| P-1270307142 | 98 | As an isomer | in stock |
| P-881612599 | N/A | As an isomer | in stock |
| P-1274619424 | 95 | As an isomer | unavailable |
| P-597002567 | 98 | As an isomer | 50 g |
| P-1275521350 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-889570538 | 95 | As an isomer | in stock |
| P-901459248 | 95 | As an isomer | by synthesis |
| P-896633965 | 95 | As an isomer | by synthesis |
| P-868598786 | 95 | As an isomer | in stock |
| P-580420935 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-862028348 | 98 | As an isomer | 101.38 g |
| P-905345724 | 98 | As an isomer | 1000 mg |
| P-870647503 | 95 | As an isomer | in stock |
| P-870658925 | 97 | As an isomer | in stock |
| P-588711798 | 97 | As an isomer | unavailable |
| P-596562709 | 95 | As an isomer | 240 mg |
| P-579455918 | 97 | As an isomer | 250 mg |
| P-901144933 | 95 | As an isomer | in stock |
| P-31197004 | 90 | As an isomer | unavailable |
| P-854692990 | 95 | As an isomer | in stock |
| P-904062881 | 95 | As an isomer | by synthesis |
| P-619672659 | 98 | As an isomer | in stock |
| P-888863359 | N/A | As an isomer | in stock |
| P-500399817 | 98 | As an isomer | by synthesis |
| P-885550270 | 95 | As an isomer | by synthesis |
| P-869177276 | 95 | As an isomer | in stock |
| P-892295363 | 95 | As an isomer | unavailable |
| P-594273755 | 95 | As an isomer | 50 mg |
| P-892337766 | 95 | As an isomer | 150 mg |
| P-873223068 | 90 | As an isomer | in stock |
| P-611351465 | 90 | As an isomer | in stock |
| P-1271713098 | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 135.187 |
| logP | 0.4185 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 102.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 33.7502 |
| Atoms | 17 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

