MCULE-1668719630
- 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 | 26 USD | 98 | 20 working days | Get Quote |
| 5 mg | 43 USD | 99 | 22 working days | Get Quote |
| 10 mg | 63 USD | 99 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1668719630.sdf |
| SMILES | MCULE-1668719630.smiles |
| Standard InChI | MCULE-1668719630.inchi |
| InChIKey | MCULE-1668719630.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612306 | 99 | As is | in stock |
| P-875773052 | 99 | As is | in stock |
| P-595215835 | 98 | As is | by resynthesis (? - ? days) |
| P-505394125 | 95 | As is | by resynthesis (? - ? days) |
| P-872726862 | 98 | As is | in stock |
| P-903113875 | 98 | As is | 25 mg |
| P-1264051565 | 95 | As is | in stock |
| P-893607381 | 90 | As is | 1.614 g |
| P-1270356558 | 99 | As is | in stock |
| P-889753001 | N/A | As is | in stock |
| P-881096055 | 98 | As is | 25 mg |
| P-1273475220 | 95 | As is | by resynthesis (? - ? days) |
| P-889777714 | 95 | As is | in stock |
| P-890247625 | 99 | As is | 187 mg |
| P-901475908 | 95 | As is | by synthesis |
| P-851249685 | 95 | As is | by synthesis |
| P-860799488 | 98 | As is | in stock |
| P-887324724 | 95 | As is | by synthesis |
| P-579480136 | 95 | As is | in stock |
| P-675215320 | 95 | As is | in stock |
| P-524166395 | 95 | As is | 1 mg |
| P-1272595436 | 97 | As is | 250 mg |
| P-852503603 | 97 | As is | by synthesis |
| P-1275598373 | 95 | As is | by synthesis |
| P-854711716 | 95 | As is | in stock |
| P-871069541 | 95 | As is | in stock |
| P-608269694 | 98 | As is | in stock |
| P-617403812 | 98 | As is | in stock |
| P-892293879 | 95 | As is | unavailable |
| P-869158377 | 95 | As is | 103 mg |
| P-888654200 | 95 | As is | 103 mg |
| P-855322960 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 504.634 |
| logP | 2.5555 |
| H-bond acceptors | 11 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 167.29 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 143.0114 |
| Atoms | 62 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 28 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| 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 |

