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UNKNOWN STEREO
MCULE-3738947331
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.
|
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 | 194 USD | 95 | 9 working days | Get Quote |
| 5 mg | 789 USD | 95 | 42 working days | Get Quote |
| 10 mg | 1181 USD | 95 | 42 working days | Get Quote |
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1
MCULE-5053901153
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3738947331.sdf |
| SMILES | MCULE-3738947331.smiles |
| Standard InChI | MCULE-3738947331.inchi |
| InChIKey | MCULE-3738947331.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895114193 | Angene | Building Blocks in stock | 98 | As is | 10 mg |
| P-889797199 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-869108587 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888627516 | TargetMol | Screening Compounds - stock amount | 95 | As is | 8 mg |
| P-892270875 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892348802 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 337.201 |
| logP | 3.80288 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 95.66 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 86.2986 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
