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MCULE-9554900832-0
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.
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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 | 157 USD | 99 | 20 working days | Get Quote |
| 5 mg | 414 USD | 98 | 22 working days | Get Quote |
| 10 mg | 619 USD | 99 | 20 working days | Get Quote |
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1
MCULE-9402082165-1
- Component type: Main
-
1
MCULE-3504782871-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9554900832-0.sdf |
| SMILES | MCULE-9554900832-0.smiles |
| Standard InChI | MCULE-9554900832-0.inchi |
| InChIKey | MCULE-9554900832-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895097317 | Angene | Building Blocks in stock | 99 | As is | 100 mg |
| P-872728763 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-878207613 | Key Organics | Building Blocks | 95 | As is | 5 mg |
| P-893674861 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 740.900 |
| logP | 0.6651 |
| H-bond acceptors | 16 |
| H-bond donors | 7 |
| Rotatable bonds | 14 |
| PSA | 283.7 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 174.184 |
| Atoms | 81 |
| Rings | 5 |
| Heavy atoms | 53 |
| Hydrogen atoms | 28 |
| Heteroatoms | 17 |
| N/O atoms | 16 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
