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UNKNOWN STEREO
MCULE-1378598593
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 | 1339 USD | 95 | 42 working days | Get Quote |
| 5 mg | 2677 USD | 95 | 42 working days | Get Quote |
| 10 mg | 4014 USD | 95 | 42 working days | Get Quote |
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1
MCULE-7184975064
- Component type: Main
-
3
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1378598593.sdf |
| SMILES | MCULE-1378598593.smiles |
| Standard InChI | MCULE-1378598593.inchi |
| InChIKey | MCULE-1378598593.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-899914214 | AmBeed | On request | N/A | Main component | by synthesis |
| P-889502367 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-594274536 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888656949 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-891657976 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 597.148 |
| logP | 0.39008 |
| H-bond acceptors | 18 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 327.43 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 96.6148 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 13 |
| Heteroatoms | 24 |
| N/O atoms | 18 |
| Inorganic atoms | 3 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
