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MCULE-9743143399-1
Structure
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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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 25 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9743143399-1.sdf |
| SMILES | MCULE-9743143399-1.smiles |
| Standard InChI | MCULE-9743143399-1.inchi |
| InChIKey | MCULE-9743143399-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-903130855 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 10 g |
| P-619605621 | BLD pharm | In-stock building blocks | 99 | As is | 12.6 g |
| P-851319417 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-901647365 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-579626234 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-896627932 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-895182250 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871072019 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608272437 | Molnova | Stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 586.182 |
| logP | 8.948 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 95.72 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 172.6456 |
| Atoms | 77 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 36 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
