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UNKNOWN STEREO
MCULE-1232207442-0
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.
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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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 28 USD | 95 | 7 working days | Get Quote |
| 10 mg | 28 USD | 95 | 7 working days | Get Quote |
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MCULE-6003212303-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1232207442-0.sdf |
| SMILES | MCULE-1232207442-0.smiles |
| Standard InChI | MCULE-1232207442-0.inchi |
| InChIKey | MCULE-1232207442-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612832081 | A2B Chem | Predominantly Building Block on demand | 95 | As a main component | by synthesis |
| P-505351455 | AK Scientific | Building Blocks | N/A | As a main component | in stock |
| P-580195916 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-864085771 | AstaTech | In Stock BBs | 90 | As a main component | in stock |
| P-893225301 | Biosynth | In Stock | 95 | As a main component | in stock |
| P-869111621 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892287842 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
| P-888629491 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 1.911 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 644.664 |
| logP | -1.8512 |
| H-bond acceptors | 17 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 273.69 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 162.2519 |
| Atoms | 70 |
| Rings | 5 |
| Heavy atoms | 44 |
| Hydrogen atoms | 26 |
| Heteroatoms | 19 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
