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MCULE-3604723919
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 | 53 USD | 95 | 12 working days | Get Quote |
| 5 mg | 53 USD | 95 | 12 working days | Get Quote |
| 10 mg | 53 USD | 95 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3604723919.sdf |
| SMILES | MCULE-3604723919.smiles |
| Standard InChI | MCULE-3604723919.inchi |
| InChIKey | MCULE-3604723919.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489152577 | 97 | As is | in stock |
| P-1270416415 | 95 | As an isomer | by synthesis |
| P-1268859325 | 95 | As an isomer | by synthesis |
| P-1264047120 | 95 | As an isomer | in stock |
| P-901534678 | 95 | As an isomer | by synthesis |
| P-500417682 | 99 | As an isomer | in stock |
| P-870661926 | 99 | As an isomer | in stock |
| P-856036927 | 90 | As an isomer | 5 g |
| P-895216844 | 95 | As an isomer | by synthesis |
| P-885542661 | 95 | As an isomer | by synthesis |
| P-33792284 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-596714609 | 90 | As an isomer | 20 mg |
| P-611403888 | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 531.427 |
| logP | 4.2087 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 8 |
| PSA | 69.06 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 144.443 |
| Atoms | 64 |
| Rings | 5 |
| Heavy atoms | 36 |
| Hydrogen atoms | 28 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
