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MCULE-3911471078-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3911471078-0.sdf |
| SMILES | MCULE-3911471078-0.smiles |
| Standard InChI | MCULE-3911471078-0.inchi |
| InChIKey | MCULE-3911471078-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1263325858 | 95 | As is | by synthesis |
| P-611171460 | 95 | As is | by synthesis |
| P-893034106 | N/A | As an isomer | by synthesis |
| P-894663046 | 95 | As an isomer | in stock |
| P-1263673483 | N/A | As an isomer | by synthesis |
| P-851515704 | N/A | As an isomer | by synthesis |
| P-4214679 | 90 | As an isomer | 15 mg |
| P-4179984 | 90 | As an isomer | 83 mg |
| P-34485499 | 90 | As an isomer | by synthesis |
| P-502499333 | 95 | As an isomer | by synthesis |
| P-504168582 | 90 | As an isomer | by synthesis |
| P-502593597 | 90 | As an isomer | in stock |
| P-617683927 | 90 | As an isomer | 115 mg |
| P-12352671 | 90 | As an isomer | 115 mg |
| P-18828462 | 90 | As an isomer | in stock |
| P-502381248 | 90 | As an isomer | in stock |
| P-907188486 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-1029784 | 90 | As an isomer | 62 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 311.356 |
| logP | 2.4395 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 115.0 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 82.5768 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 10 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
