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MCULE-6781383769
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 | 113 USD | 90 | 20 working days | Get Quote |
| 5 mg | 113 USD | 90 | 20 working days | Get Quote |
| 10 mg | 113 USD | 90 | 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-6781383769.sdf |
| SMILES | MCULE-6781383769.smiles |
| Standard InChI | MCULE-6781383769.inchi |
| InChIKey | MCULE-6781383769.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886646248 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-886733320 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-874625820 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-889834859 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-887362552 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503895971 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-31272721 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-611595970 | Toronto Research | In stock | 90 | As is | in stock |
| P-893805222 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.221 |
| logP | 2.3492 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.7438 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
