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UNKNOWN STEREO
MCULE-5585969745
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 | 34 USD | 95 | 19 working days | Get Quote |
| 5 mg | 83 USD | 95 | 19 working days | Get Quote |
| 10 mg | 120 USD | 95 | 19 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-1749444930
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5585969745.sdf |
| SMILES | MCULE-5585969745.smiles |
| Standard InChI | MCULE-5585969745.inchi |
| InChIKey | MCULE-5585969745.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869317692 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-881652945 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864150132 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868545531 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-860799206 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-868495741 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-869137203 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-888645113 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 412.511 |
| logP | 3.9411 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 116.23 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 116.4779 |
| Atoms | 53 |
| Rings | 5 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 |
