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UNKNOWN STEREO
MCULE-4788948341
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 | 31 USD | 95 | 7 working days | Get Quote |
| 5 mg | 73 USD | 95 | 7 working days | Get Quote |
| 10 mg | 111 USD | 95 | 7 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-4788948341.sdf |
| SMILES | MCULE-4788948341.smiles |
| Standard InChI | MCULE-4788948341.inchi |
| InChIKey | MCULE-4788948341.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867611095 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-869352715 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606831240 | AmBeed | In stock | N/A | As is | in stock |
| P-596962511 | Angene | Building Blocks in stock | 98 | As is | 150 mg |
| P-901334806 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860798093 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-505536884 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-869118940 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892288991 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888633931 | TargetMol | Screening Compounds - stock amount | 95 | As is | 49 mg |
| P-855313869 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 419.490 |
| logP | 5.0333 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 47.36 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 123.297 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 26 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
