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MCULE-4742952059
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.
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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 | 262 USD | 98 | 22 working days | Get Quote |
| 5 mg | 262 USD | 98 | 22 working days | Get Quote |
| 10 mg | 385 USD | 98 | 22 working days | Get Quote |
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MCULE-8161391820
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4742952059.sdf |
| SMILES | MCULE-4742952059.smiles |
| Standard InChI | MCULE-4742952059.inchi |
| InChIKey | MCULE-4742952059.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888171034 | Molnova | On demand | 98 | As is | by synthesis |
| P-888622631 | Key Organics | Building Blocks | 95 | As a main component | 1 mg |
| P-888171168 | Molnova | On demand | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 435.514 |
| logP | 4.1445 |
| H-bond acceptors | 7 |
| H-bond donors | 6 |
| Rotatable bonds | 12 |
| PSA | 113.85 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 125.9587 |
| Atoms | 61 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 29 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
