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MCULE-4539501118-0
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 | 70 USD | 90 | 22 working days | Get Quote |
| 5 mg | 102 USD | 90 | 22 working days | Get Quote |
| 10 mg | 140 USD | 90 | 22 working days | Get Quote |
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1
MCULE-6746735808-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4539501118-0.sdf |
| SMILES | MCULE-4539501118-0.smiles |
| Standard InChI | MCULE-4539501118-0.inchi |
| InChIKey | MCULE-4539501118-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892495166 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-5021961 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-852383734 | Matrix Scientific | All | N/A | As is | in stock |
| P-864058425 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-896163073 | Specs | Screening Compounds | 90 | As is | 10 mg |
| P-851531973 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596490189 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-590915951 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 261.700 |
| logP | 1.8583 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 62.91 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.5743 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
