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MCULE-4381582862-0
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 | 10 USD | 97 | 8 working days | Get Quote |
| 5 mg | 10 USD | 97 | 8 working days | Get Quote |
| 10 mg | 10 USD | 97 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4381582862-0.sdf |
| SMILES | MCULE-4381582862-0.smiles |
| Standard InChI | MCULE-4381582862-0.inchi |
| InChIKey | MCULE-4381582862-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-617062207 | 99 | As is | in stock |
| P-580702212 | 97 | As is | 176 g |
| P-868592147 | 98 | As is | in stock |
| P-861987891 | 97 | As is | 600 g |
| P-1272581850 | 95 | As is | 1000 g |
| P-852444649 | 95 | As is | by synthesis |
| P-863733702 | 95 | As is | in stock |
| P-896627851 | 95 | As is | by synthesis |
| P-474022078 | 95 | As is | in stock |
| P-619673231 | 98 | As is | in stock |
| P-617402747 | 98 | As is | in stock |
| P-1270433339 | N/A | As an isomer | by synthesis |
| P-1268876854 | 95 | As an isomer | by synthesis |
| P-1264056775 | 99 | As an isomer | in stock |
| P-608220126 | 97 | As an isomer | in stock |
| P-889869600 | 95 | As an isomer | by synthesis |
| P-19098023 | 90 | As an isomer | in stock |
| P-906760719 | 97 | As an isomer | by synthesis |
| P-824961 | 90 | As an isomer | 1.865 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 396.442 |
| logP | 0.9211 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 166.55 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 98.1205 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 16 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
