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UNKNOWN STEREO
MCULE-4430863040-0
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 | 171 USD | N/A | 35 working days | Get Quote |
| 5 mg | 171 USD | N/A | 35 working days | Get Quote |
| 10 mg | 171 USD | N/A | 35 working days | Get Quote |
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1
MCULE-6051689250-0
- Component type: Main
-
1
MCULE-7907563410-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4430863040-0.sdf |
| SMILES | MCULE-4430863040-0.smiles |
| Standard InChI | MCULE-4430863040-0.inchi |
| InChIKey | MCULE-4430863040-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851398455 | AmBeed | On request | N/A | As is | by synthesis |
| P-867444065 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-881624364 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-896056036 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
| P-893240777 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-892273321 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892349981 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 395.447 |
| logP | -2.3838 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 180.22 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 44.8107 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
