MCULE-1778342647
- 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.
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|
|---|---|---|---|---|
| 1 mg | 10 USD | 99 | 20 working days | Get Quote |
| 5 mg | 14 USD | 99 | 20 working days | Get Quote |
| 10 mg | 20 USD | N/A | 9 working days | Get Quote |
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MCULE-6822019918
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1778342647.sdf |
| SMILES | MCULE-1778342647.smiles |
| Standard InChI | MCULE-1778342647.inchi |
| InChIKey | MCULE-1778342647.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867552622 | 98 | As is | in stock |
| P-875710794 | 98 | As is | in stock |
| P-595221396 | 95 | As is | by resynthesis (? - ? days) |
| P-580195492 | 98 | As is | in stock |
| P-1264047290 | 95 | As is | in stock |
| P-610960796 | 90 | As is | 12.065 g |
| P-1270379489 | 98 | As is | in stock |
| P-900259023 | N/A | As is | in stock |
| P-596986865 | 98 | As is | 1000 mg |
| P-1273454031 | 95 | As is | by resynthesis (? - ? days) |
| P-1273413770 | 95 | As is | by resynthesis (? - ? days) |
| P-864153422 | 95 | As is | in stock |
| P-907573520 | 98 | As is | by synthesis |
| P-907573846 | 95 | As is | by synthesis |
| P-868545308 | 98 | As is | in stock |
| P-901922027 | 98 | As is | 2.301 g |
| P-1275105832 | N/A | As is | by resynthesis (? - ? days) |
| P-851278745 | 95 | As is | by synthesis |
| P-861351090 | 95 | As is | by synthesis |
| P-579479778 | 95 | As is | in stock |
| P-901407783 | 98 | As is | 2 g |
| P-675216213 | 95 | As is | in stock |
| P-596584300 | 97 | As is | 50 mg |
| P-579615175 | 95 | As is | in stock |
| P-854715073 | 95 | As is | in stock |
| P-1263153382 | 95 | As is | by synthesis |
| P-474024578 | 95 | As is | in stock |
| P-878640796 | 98 | As is | in stock |
| P-1263957766 | 90 | As is | in stock |
| P-885543549 | 95 | As is | by synthesis |
| P-892296992 | 95 | As is | unavailable |
| P-869162025 | 95 | As is | 180 mg |
| P-888657419 | 95 | As is | 171 mg |
| P-906900300 | 99 | As is | in stock |
| P-855363145 | 90 | As is | in stock |
| P-872829834 | 99 | As a main component | in stock |
| P-875787115 | 99 | As a main component | in stock |
| P-590360391 | 98 | As a main component | by resynthesis (? - ? days) |
| P-1264051050 | 98 | As a main component | in stock |
| P-610965467 | 90 | As a main component | 7.656 g |
| P-606840977 | N/A | As a main component | in stock |
| P-489225216 | 97 | As a main component | in stock |
| P-597011755 | 99 | As a main component | 30 mg |
| P-1273261742 | 95 | As a main component | by resynthesis (? - ? days) |
| P-905460011 | 95 | As a main component | in stock |
| P-907572229 | 95 | As a main component | by synthesis |
| P-584630063 | 99 | As a main component | 62 mg |
| P-901432507 | 95 | As a main component | by synthesis |
| P-851278744 | 95 | As a main component | by synthesis |
| P-861366655 | 95 | As a main component | by synthesis |
| P-608497183 | 95 | As a main component | in stock |
| P-675217417 | 95 | As a main component | in stock |
| P-596562599 | 95 | As a main component | 500 mg |
| P-895182595 | 95 | As a main component | in stock |
| P-1263156222 | 95 | As a main component | by synthesis |
| P-474024579 | 95 | As a main component | in stock |
| P-608273678 | 98 | As a main component | in stock |
| P-579712568 | 98 | As a main component | in stock |
| P-892292128 | 95 | As a main component | unavailable |
| P-869133412 | 95 | As a main component | 50 mg |
| P-888643526 | 95 | As a main component | 50 mg |
| P-868495712 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 693.718 |
| logP | 9.1018 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 14 |
| PSA | 61.44 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 183.3009 |
| Atoms | 87 |
| Rings | 6 |
| Heavy atoms | 50 |
| Hydrogen atoms | 37 |
| Heteroatoms | 11 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |

