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MCULE-5886149235
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 | 46 USD | 95 | 11 working days | Get Quote |
| 5 mg | 159 USD | 95 | 11 working days | Get Quote |
| 10 mg | 208 USD | 95 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5886149235.sdf |
| SMILES | MCULE-5886149235.smiles |
| Standard InChI | MCULE-5886149235.inchi |
| InChIKey | MCULE-5886149235.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867679641 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875856938 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-861286239 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-888656862 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869161543 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1002.641 |
| logP | 6.1428 |
| H-bond acceptors | 17 |
| H-bond donors | 4 |
| Rotatable bonds | 25 |
| PSA | 267.97 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 272.8339 |
| Atoms | 129 |
| Rings | 7 |
| Heavy atoms | 69 |
| Hydrogen atoms | 60 |
| Heteroatoms | 20 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
