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UNKNOWN STEREO
MCULE-3630786289-0
Structure
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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 | 7 USD | 96 | 22 working days | Get Quote |
| 5 mg | 7 USD | 96 | 22 working days | Get Quote |
| 10 mg | 7 USD | 96 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3630786289-0.sdf |
| SMILES | MCULE-3630786289-0.smiles |
| Standard InChI | MCULE-3630786289-0.inchi |
| InChIKey | MCULE-3630786289-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867657472 | A2B Chem | Predominantly Building Block in stock | 96 | As is | in stock |
| P-875825963 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-606855955 | AmBeed | In stock | N/A | As is | in stock |
| P-596971513 | Angene | Building Blocks in stock | 96 | As is | 17.6445 kg |
| P-864142003 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-893244459 | Biosynth | In Stock | 95 | As is | in stock |
| P-854557188 | InterBioScreen | Natural Compounds | 92 | As is | 129 mg |
| P-892213893 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869175450 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892286753 | TargetMol | In Stock BB | 95 | As is | 548 mg |
| P-892310265 | TargetMol | Screening Compounds - stock amount | 95 | As is | 548 mg |
| P-666967053 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 610.516 |
| logP | -1.6871 |
| H-bond acceptors | 16 |
| H-bond donors | 10 |
| Rotatable bonds | 6 |
| PSA | 269.43 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 141.3788 |
| Atoms | 73 |
| Rings | 5 |
| Heavy atoms | 43 |
| Hydrogen atoms | 30 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
