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UNKNOWN STEREO
MCULE-8599353042-0
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 | 27 USD | 98 | 20 working days | Get Quote |
| 5 mg | 27 USD | 98 | 20 working days | Get Quote |
| 10 mg | 49 USD | 95 | 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-5816428628-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8599353042-0.sdf |
| SMILES | MCULE-8599353042-0.smiles |
| Standard InChI | MCULE-8599353042-0.inchi |
| InChIKey | MCULE-8599353042-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-881655123 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889551233 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-892237635 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869176286 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892292820 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892327801 | TargetMol | Screening Compounds - stock amount | 95 | As is | 189 mg |
| P-873213698 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-875801036 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-873295281 | Angene | Building Blocks in stock | 98 | Main component | 750 mg |
| P-892250418 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-869176990 | TargetMol | Natural Products | 95 | Main component | in stock |
| P-892294458 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-892336013 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 91 mg |
| P-580247921 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 681.640 |
| logP | 8.3392 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 72.86 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 195.535 |
| Atoms | 89 |
| Rings | 7 |
| Heavy atoms | 47 |
| Hydrogen atoms | 42 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
