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UNKNOWN STEREO
MCULE-5591099284
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 49 USD | 95 | 9 working days | Get Quote |
| 10 mg | 49 USD | 95 | 9 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5591099284.sdf |
| SMILES | MCULE-5591099284.smiles |
| Standard InChI | MCULE-5591099284.inchi |
| InChIKey | MCULE-5591099284.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860616419 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
| P-890163520 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-596985634 | Angene | Building Blocks in stock | 97 | As is | 350 g |
| P-889849381 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-488542957 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-454363586 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-869149238 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892293274 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888650071 | TargetMol | Screening Compounds - stock amount | 95 | As is | 5.072 g |
| P-611501500 | Toronto Research | In stock | 90 | As is | in stock |
| P-464683586 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.514 g |
| P-2376479 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.514 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 330.460 |
| logP | 3.6466 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 49.83 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 93.9818 |
| Atoms | 54 |
| Rings | 5 |
| Heavy atoms | 24 |
| Hydrogen atoms | 30 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 8 |
| 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 |
