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UNKNOWN STEREO
MCULE-1919443966
Compound
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- 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 | 47 USD | 97 | 20 working days | Get Quote |
| 5 mg | 47 USD | 97 | 20 working days | Get Quote |
| 10 mg | 120 USD | 97 | 20 working days | Get Quote |
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MCULE-5354352436
- Component type: Main
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MCULE-8125571192
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1919443966.sdf |
| SMILES | MCULE-1919443966.smiles |
| Standard InChI | MCULE-1919443966.inchi |
| InChIKey | MCULE-1919443966.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867621436 | 97 | As is | in stock |
| P-875783838 | 97 | As is | in stock |
| P-894635538 | 95 | As is | by resynthesis (? - ? days) |
| P-887312465 | N/A | As is | by synthesis |
| P-865917526 | 97 | As is | 100 mg |
| P-1275490196 | 95 | As is | in stock |
| P-893259916 | 95 | As is | by synthesis |
| P-869172936 | 95 | As is | unavailable |
| P-888664126 | 95 | As is | 209 mg |
| P-855066917 | 90 | As is | in stock |
| P-1266285324 | 98 | As a main component | in stock |
| P-1265970951 | 98 | As a main component | in stock |
| P-1264205607 | N/A | As a main component | by synthesis |
| P-896039448 | 95 | As a main component | by synthesis |
| P-892301890 | 95 | As a main component | unavailable |
| P-869172938 | 95 | As a main component | 1.462 g |
| P-888664127 | 95 | As a main component | 1.462 g |
| P-1271520298 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 656.818 |
| logP | 1.7943 |
| H-bond acceptors | 17 |
| H-bond donors | 11 |
| Rotatable bonds | 28 |
| PSA | 296.74 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 172.4019 |
| Atoms | 102 |
| Rings | 0 |
| Heavy atoms | 46 |
| Hydrogen atoms | 56 |
| Heteroatoms | 17 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
