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MCULE-1257835250-0
Structure
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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 | 145 USD | 90 | 18 working days | Get Quote |
| 5 mg | 172 USD | 90 | 18 working days | Get Quote |
| 10 mg | 192 USD | 90 | 18 working days | Get Quote |
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1
MCULE-5176473182-0
- Component type: Main
-
2
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1257835250-0.sdf |
| SMILES | MCULE-1257835250-0.smiles |
| Standard InChI | MCULE-1257835250-0.inchi |
| InChIKey | MCULE-1257835250-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-594047034 | Otava | Virtual BB | 95 | As is | by synthesis |
| P-502503227 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-613275777 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-886419188 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-25758216 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | 184 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 396.143 |
| logP | 4.9364 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 76.38 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 86.6004 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
