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MCULE-9222739055
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 | 137 USD | N/A | 35 working days | Get Quote |
| 5 mg | 213 USD | 95 | 10 working days | Get Quote |
| 10 mg | 325 USD | 90 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9222739055.sdf |
| SMILES | MCULE-9222739055.smiles |
| Standard InChI | MCULE-9222739055.inchi |
| InChIKey | MCULE-9222739055.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-610959662 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.06 g |
| P-866724991 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-889441089 | FluoroChem | General BB | N/A | As is | in stock |
| P-579710192 | Selleckchem | Product Catalog | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 416.635 |
| logP | 5.7047 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 60.69 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 127.4024 |
| Atoms | 74 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 44 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
