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MCULE-4522491990
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 | 59 USD | 90 | 21 working days | Get Quote |
| 5 mg | 59 USD | 90 | 21 working days | Get Quote |
| 10 mg | 71 USD | 90 | 21 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-4522491990.sdf |
| SMILES | MCULE-4522491990.smiles |
| Standard InChI | MCULE-4522491990.inchi |
| InChIKey | MCULE-4522491990.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-870153324 | Alinda | Natural and special price products | 90 | As is | in stock |
| P-25953489 | AnalytiCon Discovery | Natural screening compounds (85%+) | 85 | As is | 22 mg |
| P-22425954 | ChemDiv | Discovery Chemistry Library (natural) | 90 | As is | 64 mg |
| P-449676972 | ChemDiv | New Chemistry Library | 90 | As is | 64 mg |
| P-873242171 | Key Organics | Building Blocks | 97 | As is | 1 mg |
| P-516409156 | Specs | Natural Products | 80 | As is | 46 mg |
| P-892220404 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892314710 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-888596684 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-894007638 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 202.209 |
| logP | 0.8336 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.0858 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
