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MCULE-4120329836
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.
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|---|---|---|---|---|
| 1 mg | 104 USD | 98 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4120329836.sdf |
| SMILES | MCULE-4120329836.smiles |
| Standard InChI | MCULE-4120329836.inchi |
| InChIKey | MCULE-4120329836.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867679597 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875857099 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869222219 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-868545053 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
| P-675217726 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-895181803 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584618293 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-869137794 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888645363 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-886952093 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 383.404 |
| logP | 3.3604 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 140.13 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 104.6018 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 21 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
