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MCULE-9962607791
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.
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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 | 13 USD | N/A | 10 working days | Get Quote |
| 5 mg | 13 USD | N/A | 10 working days | Get Quote |
| 10 mg | 13 USD | N/A | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9962607791.sdf |
| SMILES | MCULE-9962607791.smiles |
| Standard InChI | MCULE-9962607791.inchi |
| InChIKey | MCULE-9962607791.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580705376 | BLD pharm | In-stock building blocks | 98 | As is | 817 g |
| P-851280781 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868598250 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-889117837 | FluoroChem | In Stock BB | N/A | As is | 42 g |
| P-580091313 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
| P-852511037 | Matrix Scientific | All | N/A | As is | in stock |
| P-854737006 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 380.435 |
| logP | 3.8428 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 113.96 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 99.8532 |
| Atoms | 55 |
| Rings | 1 |
| Heavy atoms | 27 |
| Hydrogen atoms | 28 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
