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MCULE-3915419152
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 | 376 USD | 97 | 10 working days | Get Quote |
| 5 mg | 376 USD | 97 | 10 working days | Get Quote |
| 10 mg | 559 USD | 97 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-8238306640
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3915419152.sdf |
| SMILES | MCULE-3915419152.smiles |
| Standard InChI | MCULE-3915419152.inchi |
| InChIKey | MCULE-3915419152.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893874865 | 95 | As is | by synthesis |
| P-873245006 | 97 | Main component | 50 mg |
| P-889863450 | 95 | Main component | by synthesis |
| P-611509746 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 459.585 |
| logP | 4.0666 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 10 |
| PSA | 175.82 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 117.561 |
| Atoms | 59 |
| Rings | 2 |
| Heavy atoms | 30 |
| Hydrogen atoms | 29 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
