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UNKNOWN STEREO
MCULE-8861308326-0
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 | 100 USD | N/A | 35 working days | Get Quote |
| 5 mg | 241 USD | 95 | 9 working days | Get Quote |
| 10 mg | 383 USD | 95 | 9 working days | Get Quote |
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1
MCULE-2042544329-0
- Component type: Main
-
2
MCULE-5646000632-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8861308326-0.sdf |
| SMILES | MCULE-8861308326-0.smiles |
| Standard InChI | MCULE-8861308326-0.inchi |
| InChIKey | MCULE-8861308326-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872868270 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-874647515 | AK Scientific | Building Blocks | 99 | Main component | in stock |
| P-889751429 | AmBeed | On request | N/A | Main component | by synthesis |
| P-889491018 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-869108534 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892287008 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888627481 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 95 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 614.884 |
| logP | 3.0741 |
| H-bond acceptors | 16 |
| H-bond donors | 8 |
| Rotatable bonds | 9 |
| PSA | 222.59 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 139.0389 |
| Atoms | 69 |
| Rings | 4 |
| Heavy atoms | 39 |
| Hydrogen atoms | 30 |
| Heteroatoms | 19 |
| N/O atoms | 15 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
