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UNKNOWN STEREO
MCULE-5279026480
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 | 53 USD | 98 | 16 working days | Get Quote |
| 5 mg | 118 USD | 97 | 20 working days | Get Quote |
| 10 mg | 156 USD | N/A | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5279026480.sdf |
| SMILES | MCULE-5279026480.smiles |
| Standard InChI | MCULE-5279026480.inchi |
| InChIKey | MCULE-5279026480.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867559048 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875718610 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-606849173 | AmBeed | In stock | N/A | As is | in stock |
| P-596944536 | Angene | Building Blocks in stock | 97 | As is | 125 mg |
| P-892253979 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869177974 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892296415 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892338798 | TargetMol | Screening Compounds - stock amount | 95 | As is | 50 mg |
| P-863673060 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 564.490 |
| logP | -1.4852 |
| H-bond acceptors | 14 |
| H-bond donors | 8 |
| Rotatable bonds | 7 |
| PSA | 228.97 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 132.5638 |
| Atoms | 68 |
| Rings | 5 |
| Heavy atoms | 40 |
| Hydrogen atoms | 28 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 8 |
| 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 |
