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MCULE-1631110057
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.
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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 | 89 USD | 95 | 13 working days | Get Quote |
| 5 mg | 367 USD | 95 | 13 working days | Get Quote |
| 10 mg | 676 USD | 98 | 24 working days | Get Quote |
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MCULE-2606958378
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1631110057.sdf |
| SMILES | MCULE-1631110057.smiles |
| Standard InChI | MCULE-1631110057.inchi |
| InChIKey | MCULE-1631110057.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-874447043 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-860055817 | AvaChem Scientific | All products | 95 | As a main component | by synthesis |
| P-591051974 | BLD pharm | Non-stock building blocks | 98 | As a main component | by synthesis |
| P-871218824 | BOC Sciences | All products | N/A | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 811.866 |
| logP | 3.1577 |
| H-bond acceptors | 16 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 217.05 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 203.5056 |
| Atoms | 111 |
| Rings | 7 |
| Heavy atoms | 58 |
| Hydrogen atoms | 53 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 13 |
| R/S chiral centers | 13 |
| 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 |
