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MCULE-1980512501
Compound
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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.
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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 | 67 USD | 90 | 22 working days | Get Quote |
| 5 mg | 84 USD | 90 | 22 working days | Get Quote |
| 10 mg | 109 USD | 90 | 22 working days | Get Quote |
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1
MCULE-9365007950
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1980512501.sdf |
| SMILES | MCULE-1980512501.smiles |
| Standard InChI | MCULE-1980512501.inchi |
| InChIKey | MCULE-1980512501.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886507210 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-890129835 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-3828520 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component as a main component | 50 mg |
| P-617606339 | Specs | Screening Compounds | 90 | Main component as a main component | 253 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 348.350 |
| logP | 2.0222 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 128.98 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 89.8923 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 20 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
