MCULE-9425474494
- 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 | 24 USD | 99 | 22 working days | Get Quote |
| 5 mg | 24 USD | 99 | 22 working days | Get Quote |
| 10 mg | 28 USD | 95 | 7 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9425474494.sdf |
| SMILES | MCULE-9425474494.smiles |
| Standard InChI | MCULE-9425474494.inchi |
| InChIKey | MCULE-9425474494.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616663 | 99 | As is | in stock |
| P-867627217 | 98 | As is | in stock |
| P-892794532 | 95 | As is | by resynthesis (? - ? days) |
| P-580195120 | 98 | As is | in stock |
| P-893509286 | 90 | As is | 4.646 g |
| P-1263866239 | 90 | As is | 279 mg |
| P-1270383917 | 99 | As is | in stock |
| P-1270306775 | 95 | As is | in stock |
| P-606886451 | N/A | As is | in stock |
| P-905025392 | N/A | As is | in stock |
| P-865915923 | 97 | As is | 200 mg |
| P-1273265332 | 95 | As is | by resynthesis (? - ? days) |
| P-1273292813 | 95 | As is | by resynthesis (? - ? days) |
| P-1272615681 | 95 | As is | by synthesis |
| P-901333835 | 95 | As is | in stock |
| P-4515309 | 85 | As is | 50 mg |
| P-19844641 | 90 | As is | in stock |
| P-675216191 | 95 | As is | in stock |
| P-855919651 | 97 | As is | 50 mg |
| P-31129989 | 90 | As is | 30 mg |
| P-19148106 | 90 | As is | in stock |
| P-579711160 | 98 | As is | in stock |
| P-454085942 | 90 | As is | 14 mg |
| P-1274332930 | 95 | As is | unavailable |
| P-892297206 | 95 | As is | unavailable |
| P-869162167 | 95 | As is | 50 mg |
| P-1274341599 | 95 | As is | 241 mg |
| P-1274353417 | 95 | As is | 241 mg |
| P-888657552 | 95 | As is | 50 mg |
| P-33713794 | 94 | As is | by resynthesis (? - ? days) |
| P-855357488 | 90 | As is | in stock |
| P-891565 | 90 | As is | 91 mg |
| P-1271673195 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 289.283 |
| logP | 3.7384 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 84.61 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 76.7897 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

