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MCULE-7180497459
Compound
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- InChIKey:
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- 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 | 67 USD | 97 | 10 working days | Get Quote |
| 5 mg | 83 USD | 97 | 10 working days | Get Quote |
| 10 mg | 113 USD | 97 | 10 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-7180497459.sdf |
| SMILES | MCULE-7180497459.smiles |
| Standard InChI | MCULE-7180497459.inchi |
| InChIKey | MCULE-7180497459.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-454400210 | Key Organics | Building Blocks | 97 | As is | 25.011 g |
| P-18820543 | Key Organics | Screening Compounds and Fragments | 97 | As is | 25.011 g |
| P-893849329 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893786985 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 196.246 |
| logP | 0.5426 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 49.41 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.8837 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
