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UNKNOWN STEREO
MCULE-5804740371-1
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.
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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 | 29 USD | N/A | 35 working days | Get Quote |
| 5 mg | 29 USD | N/A | 35 working days | Get Quote |
| 10 mg | 29 USD | N/A | 35 working days | Get Quote |
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MCULE-8575321990-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5804740371-1.sdf |
| SMILES | MCULE-5804740371-1.smiles |
| Standard InChI | MCULE-5804740371-1.inchi |
| InChIKey | MCULE-5804740371-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867668344 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875842528 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869323933 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851842986 | AmBeed | On request | N/A | As is | by synthesis |
| P-492250038 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-872448331 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-12360726 | Otava | In-House Stock Library | 90 | As is | 28 mg |
| P-611430203 | Toronto Research | In stock | 90 | As is | in stock |
| P-617742524 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 139 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 177.286 |
| logP | 3.1442 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.9787 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 19 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
