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MCULE-4456688953
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 | 320 USD | 90 | 25 working days | Get Quote |
| 5 mg | 340 USD | 94 | 23 working days | Get Quote |
| 10 mg | 425 USD | 90 | 25 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4456688953.sdf |
| SMILES | MCULE-4456688953.smiles |
| Standard InChI | MCULE-4456688953.inchi |
| InChIKey | MCULE-4456688953.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904584944 | 95 | As is | by resynthesis (? - ? days) |
| P-851449774 | N/A | As is | by synthesis |
| P-870063018 | 90 | As is | 1000 mg |
| P-590755838 | 97 | As is | by synthesis |
| P-852380540 | N/A | As is | by synthesis |
| P-869086302 | 95 | As is | by synthesis |
| P-873066146 | 94 | As is | by resynthesis (? - ? days) |
| P-1279338207 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.198 |
| logP | 1.5723 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 95.08 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.7192 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 8 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
