MCULE-3361115925
- 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 | 39 USD | 90 | 18 working days | Get Quote |
| 5 mg | 39 USD | 90 | 18 working days | Get Quote |
| 10 mg | 39 USD | 90 | 18 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3361115925.sdf |
| SMILES | MCULE-3361115925.smiles |
| Standard InChI | MCULE-3361115925.inchi |
| InChIKey | MCULE-3361115925.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886733456 | 95 | As is | in stock |
| P-852120096 | 95 | As is | by synthesis |
| P-615716672 | 95 | As is | by resynthesis (? - ? days) |
| P-869297179 | 95 | As is | by resynthesis (? - ? days) |
| P-1270345994 | 95 | As is | in stock |
| P-881612717 | N/A | As is | in stock |
| P-1271983280 | 95 | As is | 800 mg |
| P-888827075 | 98 | As is | 6 g |
| P-1274809767 | 95 | As is | by resynthesis (? - ? days) |
| P-494330765 | 95 | As is | by resynthesis (? - ? days) |
| P-889780565 | 95 | As is | in stock |
| P-901424650 | 95 | As is | by synthesis |
| P-517110193 | 90 | As is | in stock |
| P-580416964 | 95 | As is | by resynthesis (? - ? days) |
| P-889423274 | 98 | As is | 9.2 g |
| P-502477982 | 95 | As is | by synthesis |
| P-454380095 | 95 | As is | 8.579 g |
| P-18712987 | 95 | As is | 8.579 g |
| P-31242773 | 90 | As is | 1000 mg |
| P-14579904 | 90 | As is | 56 mg |
| P-35239265 | 90 | As is | in stock |
| P-617703660 | 90 | As is | 1.1 g |
| P-12915057 | 90 | As is | 1.1 g |
| P-500377842 | 95 | As is | by synthesis |
| P-502339207 | 90 | As is | in stock |
| P-905046163 | 90 | As is | 91 mg |
| P-906814665 | 95 | As is | by synthesis |
| P-611603679 | 90 | As is | in stock |
| P-611603688 | 90 | As is | in stock |
| P-1271689871 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.177 |
| logP | 1.40688 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 79.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 53.7308 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

