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MCULE-9176225879-0
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 | 260 USD | 90 | 9 working days | Get Quote |
| 5 mg | 260 USD | 90 | 9 working days | Get Quote |
| 10 mg | 260 USD | 90 | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-2678595491-0
- Component type: Main
-
2
MCULE-6572487779-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9176225879-0.sdf |
| SMILES | MCULE-9176225879-0.smiles |
| Standard InChI | MCULE-9176225879-0.inchi |
| InChIKey | MCULE-9176225879-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33394974 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-12296280 | Specs | Screening Compounds | 90 | Main component | 1.323 g |
| P-33322351 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 567.518 |
| logP | 4.3457 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 152.21 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 140.0204 |
| Atoms | 64 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 31 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
