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UNKNOWN STEREO
MCULE-1480239493-0
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 | 14 USD | 97 | 20 working days | Get Quote |
| 5 mg | 14 USD | 97 | 20 working days | Get Quote |
| 10 mg | 14 USD | 97 | 20 working days | Get Quote |
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1
MCULE-6049861630-0
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1480239493-0.sdf |
| SMILES | MCULE-1480239493-0.smiles |
| Standard InChI | MCULE-1480239493-0.inchi |
| InChIKey | MCULE-1480239493-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-881660883 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-881669999 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-596972649 | Angene | Building Blocks in stock | 97 | As is | 300 g |
| P-893218364 | Biosynth | In Stock | 95 | As is | in stock |
| P-505497161 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-24482924 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-524440321 | Key Organics | Biochemicals | 97 | As is | 774 mg |
| P-500377535 | Pi Chemicals | Virtual Compounds | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 446.369 |
| logP | -0.8416 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 201.89 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 98.4336 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 15 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
