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MCULE-1649454066-2
Structure
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- InChIKey:
- SMILES:
- InChI:
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| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
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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 | 24 USD | N/A | 9 working days | Get Quote |
| 5 mg | 24 USD | N/A | 9 working days | Get Quote |
| 10 mg | 24 USD | N/A | 9 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1649454066-2.sdf |
| SMILES | MCULE-1649454066-2.smiles |
| Standard InChI | MCULE-1649454066-2.inchi |
| InChIKey | MCULE-1649454066-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612852423 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-901288774 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-613852134 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851954440 | AmBeed | In stock | N/A | As is | in stock |
| P-870584315 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
| P-580391252 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-854773380 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888890203 | PharmaBlock | In stock | N/A | As is | in stock |
| P-615457127 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.595 |
| logP | 2.1348 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 56.11 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.5399 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
