MCULE-8727957434
- 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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8727957434.sdf |
| SMILES | MCULE-8727957434.smiles |
| Standard InChI | MCULE-8727957434.inchi |
| InChIKey | MCULE-8727957434.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867586037 | 98 | As is | in stock |
| P-1275146369 | 98 | As is | in stock |
| P-1275178650 | 99 | As is | in stock |
| P-1275181595 | N/A | As is | in stock |
| P-580235986 | 95 | As is | by synthesis |
| P-489208177 | 97 | As is | in stock |
| P-1273291103 | 95 | As is | by resynthesis (? - ? days) |
| P-889740870 | 95 | As is | 380 g |
| P-452658093 | 98 | As is | in stock |
| P-851297181 | 95 | As is | by synthesis |
| P-868661424 | 95 | As is | in stock |
| P-488551036 | 90 | As is | in stock |
| P-865979795 | 92 | As is | 300 mg |
| P-856044236 | 90 | As is | 10 g |
| P-31274622 | 90 | As is | 10 g |
| P-613276008 | 95 | As is | by synthesis |
| P-854691702 | 95 | As is | in stock |
| P-896628487 | 95 | As is | by synthesis |
| P-584617892 | 95 | As is | in stock |
| P-650823962 | 90 | As is | by synthesis |
| P-454369275 | 92 | As is | in stock |
| P-885524025 | 95 | As is | by synthesis |
| P-424864974 | 90 | As is | in stock |
| P-617402838 | 98 | As is | in stock |
| P-892304880 | 95 | As is | in stock |
| P-904254725 | 95 | As is | unavailable |
| P-869165303 | 95 | As is | 510.864 g |
| P-888660189 | 95 | As is | 485.609 g |
| P-502368369 | 90 | As is | in stock |
| P-854974884 | 90 | As is | in stock |
| P-3228384 | 90 | As is | 509 mg |
| P-3026795 | 90 | As is | 509 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 278.343 |
| logP | 3.6004 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 10 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 77.843 |
| Atoms | 42 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 22 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

