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MCULE-6896869434
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 | 1232 USD | 97 | 21 working days | Get Quote |
| 5 mg | 1232 USD | 97 | 21 working days | Get Quote |
| 10 mg | 1232 USD | 97 | 21 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6896869434.sdf |
| SMILES | MCULE-6896869434.smiles |
| Standard InChI | MCULE-6896869434.inchi |
| InChIKey | MCULE-6896869434.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867468348 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
| P-615725475 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-489171945 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-580377319 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-852459419 | Matrix Scientific | All | N/A | As is | in stock |
| P-888646347 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869140114 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-886951951 | eNovation Chemicals LLC | Building Block on demand | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 353.432 |
| logP | 4.2988 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 48.13 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 104.5269 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 24 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
