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MCULE-4177477520
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 | 260 USD | 95 | 25 working days | Get Quote |
| 5 mg | 654 USD | 95 | 25 working days | Get Quote |
| 10 mg | 724 USD | 95 | 21 working days | Get Quote |
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1
MCULE-2046569648
- Component type: Main
-
1
MCULE-3549142744
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4177477520.sdf |
| SMILES | MCULE-4177477520.smiles |
| Standard InChI | MCULE-4177477520.inchi |
| InChIKey | MCULE-4177477520.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-895203513 | 95 | As is | by synthesis |
| P-584620166 | 95 | As is | in stock |
| P-895204148 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 500.626 |
| logP | 4.0419 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 127.17 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 143.6941 |
| Atoms | 76 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 40 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
