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MCULE-5313544461
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 | 110 USD | 90 | 20 working days | Get Quote |
| 5 mg | 110 USD | 90 | 20 working days | Get Quote |
| 10 mg | 110 USD | 90 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5313544461.sdf |
| SMILES | MCULE-5313544461.smiles |
| Standard InChI | MCULE-5313544461.inchi |
| InChIKey | MCULE-5313544461.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867418681 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-869313107 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-489186452 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-580292138 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-502528920 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-596573852 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-31179295 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-895321402 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500396372 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.207 |
| logP | 2.7623 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 58.2975 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
