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MCULE-9611552513
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.
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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 | 88 USD | 90 | 27 working days | Get Quote |
| 5 mg | 105 USD | 90 | 27 working days | Get Quote |
| 10 mg | 116 USD | 90 | 27 working days | Get Quote |
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1
MCULE-2043451721
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9611552513.sdf |
| SMILES | MCULE-9611552513.smiles |
| Standard InChI | MCULE-9611552513.inchi |
| InChIKey | MCULE-9611552513.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886265232 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-588862157 | Life Chemicals | Screening Compounds | 90 | As is | 161 mg |
| P-613344657 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-588832923 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 271.182 |
| logP | 5.579 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 38.05 |
| RO5 violations | 1 |
| RO3 violations | 1 |
| Refractivity | 79.2861 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
