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UNKNOWN STEREO
MCULE-8045115195
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 | 29 USD | 97 | 16 working days | Get Quote |
| 5 mg | 95 USD | N/A | 14 working days | Get Quote |
| 10 mg | 135 USD | 97 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8045115195.sdf |
| SMILES | MCULE-8045115195.smiles |
| Standard InChI | MCULE-8045115195.inchi |
| InChIKey | MCULE-8045115195.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867679412 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875857246 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869252785 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606940286 | AmBeed | In stock | N/A | As is | in stock |
| P-596974493 | Angene | Building Blocks in stock | 97 | As is | 1.599 g |
| P-889566860 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-855344618 | Toronto Research | In stock | 90 | As is | in stock |
| P-886929555 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 471.550 |
| logP | 4.9988 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 102.48 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 141.3486 |
| Atoms | 64 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 29 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
