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UNKNOWN STEREO
MCULE-4977968168
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 | 6 USD | 98 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-4977968168.sdf |
| SMILES | MCULE-4977968168.smiles |
| Standard InChI | MCULE-4977968168.inchi |
| InChIKey | MCULE-4977968168.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867552609 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875710776 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590399574 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851937967 | AmBeed | In stock | N/A | As is | in stock |
| P-596982123 | Angene | Building Blocks in stock | 98 | As is | 300 g |
| P-864177225 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-500411276 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-500411277 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-869177277 | TargetMol | Natural Products | 95 | As is | 718 mg |
| P-611476784 | Toronto Research | In stock | 90 | As is | in stock |
| P-667019191 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.182 |
| logP | -2.5673 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 99.38 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 40.4662 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
