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UNKNOWN STEREO
MCULE-4953328625
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 | 991 USD | 95 | 63 working days | Get Quote |
| 5 mg | 1024 USD | 97 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4953328625.sdf |
| SMILES | MCULE-4953328625.smiles |
| Standard InChI | MCULE-4953328625.inchi |
| InChIKey | MCULE-4953328625.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-613852082 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-580235943 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-888816800 | Angene | Building Blocks in stock | 97 | As is | 5 mg |
| P-889516990 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-611430268 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 554.669 |
| logP | 4.7202 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 104.43 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 147.0668 |
| Atoms | 82 |
| Rings | 6 |
| Heavy atoms | 40 |
| Hydrogen atoms | 42 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 11 |
| R/S chiral centers | 11 |
| 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 |
