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UNKNOWN STEREO
MCULE-3171464631
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 | 30 USD | 97 | 20 working days | Get Quote |
| 5 mg | 30 USD | 97 | 20 working days | Get Quote |
| 10 mg | 30 USD | 97 | 20 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-8589629018
- Component type: Main
-
1
MCULE-5932450224
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3171464631.sdf |
| SMILES | MCULE-3171464631.smiles |
| Standard InChI | MCULE-3171464631.inchi |
| InChIKey | MCULE-3171464631.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-606877606 | N/A | As is | in stock |
| P-867648891 | 97 | Main component | in stock |
| P-875816150 | 97 | Main component | in stock |
| P-892785370 | 95 | Main component | in stock |
| P-851938411 | N/A | Main component | in stock |
| P-865924099 | 97 | Main component | 100 g |
| P-864193846 | 95 | Main component | in stock |
| P-893240380 | 95 | Main component | in stock |
| P-1264931432 | N/A | Main component as a main component | by synthesis |
| P-853433315 | 98 | Main component as a main component | in stock |
| P-851822033 | N/A | Main component as a main component | by synthesis |
| P-611501343 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 248.229 |
| logP | -4.7355 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 158.35 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 37.2045 |
| Atoms | 24 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
