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UNKNOWN STEREO
MCULE-1128109079
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 | 14 USD | N/A | 14 working days | Get Quote |
| 5 mg | 36 USD | N/A | 14 working days | Get Quote |
| 10 mg | 83 USD | 95 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1128109079.sdf |
| SMILES | MCULE-1128109079.smiles |
| Standard InChI | MCULE-1128109079.inchi |
| InChIKey | MCULE-1128109079.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867570127 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-590381462 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606836516 | AmBeed | In stock | N/A | As is | in stock |
| P-596949316 | Angene | Building Blocks in stock | N/A | As is | 2 g |
| P-864144545 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-864242906 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
| P-869176610 | TargetMol | Natural Products | 95 | As is | 754 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 624.586 |
| logP | -1.0159 |
| H-bond acceptors | 15 |
| H-bond donors | 9 |
| Rotatable bonds | 11 |
| PSA | 245.29 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 148.423 |
| Atoms | 80 |
| Rings | 4 |
| Heavy atoms | 44 |
| Hydrogen atoms | 36 |
| Heteroatoms | 15 |
| N/O atoms | 15 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |
