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UNKNOWN STEREO
MCULE-5398690469
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 | 62 USD | 95 | 11 working days | Get Quote |
| 5 mg | 192 USD | 95 | 11 working days | Get Quote |
| 10 mg | 305 USD | 95 | 11 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-8273791558
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5398690469.sdf |
| SMILES | MCULE-5398690469.smiles |
| Standard InChI | MCULE-5398690469.inchi |
| InChIKey | MCULE-5398690469.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-590362109 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-889478052 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-888634319 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869119395 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-888640359 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869127191 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1304.525 |
| logP | 1.5852 |
| H-bond acceptors | 32 |
| H-bond donors | 18 |
| Rotatable bonds | 42 |
| PSA | 544.46 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 351.2517 |
| Atoms | 181 |
| Rings | 7 |
| Heavy atoms | 92 |
| Hydrogen atoms | 89 |
| Heteroatoms | 33 |
| N/O atoms | 32 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 12 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 3 |
