MCULE-6881335781-0
- 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 | 60 USD | 95 | 15 working days | Get Quote |
| 5 mg | 97 USD | 98 | 22 working days | Get Quote |
| 10 mg | 122 USD | 98 | 15 working days | Get Quote |
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MCULE-1982525467-0
- Component type: Main
-
MCULE-2363781799-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6881335781-0.sdf |
| SMILES | MCULE-6881335781-0.smiles |
| Standard InChI | MCULE-6881335781-0.inchi |
| InChIKey | MCULE-6881335781-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867646463 | 98 | As is | in stock |
| P-1265853666 | 98 | As is | in stock |
| P-902995155 | 98 | As is | by resynthesis (? - ? days) |
| P-1264059651 | 98 | As is | in stock |
| P-1270390608 | 98 | As is | in stock |
| P-893291314 | N/A | As is | in stock |
| P-1271970621 | 98 | As is | 500 mg |
| P-1273445935 | 95 | As is | by resynthesis (? - ? days) |
| P-1263785724 | 95 | As is | in stock |
| P-606956136 | 98 | As is | 439 mg |
| P-889037110 | 95 | As is | by synthesis |
| P-889440517 | 98 | As is | 83 mg |
| P-505545629 | 95 | As is | in stock |
| P-873244068 | 97 | As is | 5 mg |
| P-863727670 | 95 | As is | in stock |
| P-1275000200 | 95 | As is | in stock |
| P-878645481 | 98 | As is | in stock |
| P-1274332468 | 95 | As is | unavailable |
| P-869111593 | 95 | As is | 6 mg |
| P-888629468 | 95 | As is | 6 mg |
| P-906882830 | 98 | As is | by synthesis |
| P-867647106 | 95 | As a main component | in stock |
| P-875813870 | 95 | As a main component | in stock |
| P-1275172439 | 95 | As a main component | in stock |
| P-1270320784 | 95 | As a main component | in stock |
| P-904026150 | N/A | As a main component | in stock |
| P-851581779 | N/A | As a main component | by synthesis |
| P-597010606 | 98 | As a main component | 14.3 g |
| P-1273260277 | 95 | As a main component | by resynthesis (? - ? days) |
| P-881038882 | 95 | As a main component | in stock |
| P-902966924 | 95 | As a main component | 45 mg |
| P-608392803 | 97 | As a main component | by synthesis |
| P-887185754 | 95 | As a main component | by synthesis |
| P-868660036 | 95 | As a main component | in stock |
| P-855916723 | 97 | As a main component | 5 mg |
| P-854711613 | 95 | As a main component | in stock |
| P-1271844065 | 95 | As a main component | by synthesis |
| P-899991486 | 95 | As a main component | by synthesis |
| P-871072416 | 95 | As a main component | in stock |
| P-878645476 | 98 | As a main component | in stock |
| P-892287829 | 95 | As a main component | unavailable |
| P-869111594 | 95 | As a main component | 195 mg |
| P-888629469 | 95 | As a main component | 195 mg |
| P-893944352 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 327.806 |
| logP | 4.9108 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 57.18 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 95.7014 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 18 |
| Heteroatoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

