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UNKNOWN STEREO
MCULE-3855692287
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 | 195 USD | 92 | 14 working days | Get Quote |
| 5 mg | 291 USD | 92 | 14 working days | Get Quote |
| 10 mg | 431 USD | 92 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3855692287.sdf |
| SMILES | MCULE-3855692287.smiles |
| Standard InChI | MCULE-3855692287.inchi |
| InChIKey | MCULE-3855692287.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-874612511 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-864216407 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
| P-500143873 | Chemtos | In-stock Products | 95 | As is | in stock |
| P-488556209 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-611510017 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 448.938 |
| logP | 5.8211 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 69.64 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 131.2765 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 25 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
