MCULE-5969299498
- 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 | 51 USD | 95 | 7 working days | Get Quote |
| 5 mg | 107 USD | 98 | 16 working days | Get Quote |
| 10 mg | 171 USD | 98 | 16 working days | Get Quote |
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MCULE-6740146934
- Component type: Main
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MCULE-3130380872
- Component type: Main
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MCULE-4056323422
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5969299498.sdf |
| SMILES | MCULE-5969299498.smiles |
| Standard InChI | MCULE-5969299498.inchi |
| InChIKey | MCULE-5969299498.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886626706 | N/A | As is | in stock |
| P-890161202 | N/A | As is | in stock |
| P-613852654 | 95 | As is | by resynthesis (? - ? days) |
| P-893606333 | 90 | As is | 679 mg |
| P-889751084 | N/A | As is | by synthesis |
| P-895102017 | 98 | As is | 200 mg |
| P-1273258581 | 95 | As is | by resynthesis (? - ? days) |
| P-890229987 | 98 | As is | by synthesis |
| P-871219884 | N/A | As is | by resynthesis (? - ? days) |
| P-870652314 | N/A | As is | in stock |
| P-888621695 | 95 | As is | 5 mg |
| P-895183177 | 95 | As is | in stock |
| P-896628315 | 95 | As is | by synthesis |
| P-878647160 | 98 | As is | in stock |
| P-892290988 | 95 | As is | unavailable |
| P-869126596 | 95 | As is | 64 mg |
| P-888639938 | 95 | As is | 64 mg |
| P-611459305 | 90 | As is | in stock |
| P-1263254887 | 95 | As a main component | by synthesis |
| P-899785204 | 97 | As a main component | 5 mg |
| P-895194167 | 95 | As a main component | by synthesis |
| P-617403312 | 98 | As a main component | in stock |
| P-869137297 | 95 | As a main component | unavailable |
| P-888645154 | 95 | As a main component | unavailable |
| P-906891891 | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 402.487 |
| logP | 4.5594 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 113.41 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 118.9496 |
| Atoms | 59 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 30 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

