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MCULE-1546319545-0
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 | 248 USD | 95 | 14 working days | Get Quote |
| 5 mg | 248 USD | 95 | 14 working days | Get Quote |
| 10 mg | 396 USD | 95 | 14 working days | Get Quote |
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1
MCULE-5495987666-0
- Component type: Main
-
1
MCULE-3549142744-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1546319545-0.sdf |
| SMILES | MCULE-1546319545-0.smiles |
| Standard InChI | MCULE-1546319545-0.inchi |
| InChIKey | MCULE-1546319545-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1274671277 | N/A | As is | by synthesis |
| P-1270120980 | 98 | Main component | in stock |
| P-1268826880 | 98 | Main component | in stock |
| P-1273289433 | 95 | Main component | by resynthesis (? - ? days) |
| P-901416123 | 95 | Main component | by synthesis |
| P-1263158136 | 95 | Main component | in stock |
| P-869111402 | 95 | Main component | unavailable |
| P-888629336 | 95 | Main component | unavailable |
| P-904065897 | 95 | Main component as a main component | by synthesis |
| P-904222712 | 95 | Main component as a main component | unavailable |
| P-904239083 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 714.224 |
| logP | 5.4858 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 14 |
| PSA | 163.61 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 197.6071 |
| Atoms | 89 |
| Rings | 5 |
| Heavy atoms | 49 |
| Hydrogen atoms | 40 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| 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 |
