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UNKNOWN STEREO
MCULE-4863669576
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 | 7 USD | 98 | 16 working days | Get Quote |
| 5 mg | 16 USD | 98 | 16 working days | Get Quote |
| 10 mg | 20 USD | 98 | 16 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-4863669576.sdf |
| SMILES | MCULE-4863669576.smiles |
| Standard InChI | MCULE-4863669576.inchi |
| InChIKey | MCULE-4863669576.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867548035 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-867612638 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-505390868 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869214958 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-891663722 | AmBeed | On request | N/A | As is | by synthesis |
| P-606914665 | AmBeed | In stock | N/A | As is | in stock |
| P-596940357 | Angene | Building Blocks in stock | 99 | As is | 4.15 g |
| P-864237520 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-864113713 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-861286049 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-505524611 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-854976451 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 415.565 |
| logP | 3.5378 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 13 |
| PSA | 89.79 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 121.3591 |
| Atoms | 67 |
| Rings | 2 |
| Heavy atoms | 30 |
| Hydrogen atoms | 37 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
