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MCULE-4422695691
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-5817300871
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4422695691.sdf |
| SMILES | MCULE-4422695691.smiles |
| Standard InChI | MCULE-4422695691.inchi |
| InChIKey | MCULE-4422695691.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-905446784 | 95 | As is | by synthesis |
| P-617330237 | 95 | As is | in stock |
| P-887196301 | 95 | As is | by synthesis |
| P-861300732 | 90 | As is | in stock |
| P-24368928 | 92 | As is | 249 mg |
| P-13320955 | 92 | As is | 270 mg |
| P-617769226 | 90 | As is | 995 mg |
| P-4285640 | 90 | Main component | 100 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 231.717 |
| logP | 3.1771 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 30.49 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.7727 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
