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MCULE-3979348487
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 | 75 USD | 95 | 27 working days | Get Quote |
| 5 mg | 75 USD | 95 | 27 working days | Get Quote |
| 10 mg | 75 USD | 95 | 27 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3979348487.sdf |
| SMILES | MCULE-3979348487.smiles |
| Standard InChI | MCULE-3979348487.inchi |
| InChIKey | MCULE-3979348487.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-597027507 | AEchem | Building blocks | 95 | As is | in stock |
| P-489120998 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-860054854 | AvaChem Scientific | All products | 95 | As is | by synthesis |
| P-871219315 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-851278143 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868645196 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-863732949 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 435.438 |
| logP | 0.8183 |
| H-bond acceptors | 13 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 238.2 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 99.7617 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 17 |
| Heteroatoms | 15 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
