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MCULE-6681239401
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 | 227 USD | 98 | 27 working days | Get Quote |
| 5 mg | 494 USD | 98 | 27 working days | Get Quote |
| 10 mg | 874 USD | 98 | 27 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6681239401.sdf |
| SMILES | MCULE-6681239401.smiles |
| Standard InChI | MCULE-6681239401.inchi |
| InChIKey | MCULE-6681239401.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860055205 | AvaChem Scientific | All products | 98 | As is | by synthesis |
| P-871221835 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-887202135 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-863740735 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 440.700 |
| logP | 7.2275 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 40.46 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 137.7296 |
| Atoms | 80 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 48 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
