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MCULE-1114877619
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-1114877619.sdf |
| SMILES | MCULE-1114877619.smiles |
| Standard InChI | MCULE-1114877619.inchi |
| InChIKey | MCULE-1114877619.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-903165707 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 275 g |
| P-610979815 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.1401 kg |
| P-454689277 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-436444860 | Chemical Block | Building Blocks | 90 | As is | 9.879 g |
| P-352182 | Chemical Block | Screening Library | 90 | As is | 230 mg |
| P-868622442 | Combi-Blocks | Building Block in stock | N/A | As is | in stock |
| P-862096619 | FluoroChem | China Stock BB | 95 | As is | 33.402 g |
| P-905352220 | FluoroChem | German Stock BB | 95 | As is | 2 g |
| P-855397066 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 294.346 |
| logP | 2.8497 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 90.65 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 80.0671 |
| Atoms | 43 |
| Rings | 1 |
| Heavy atoms | 21 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
