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MCULE-4182979555
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 | 53 USD | 99 | 15 working days | Get Quote |
| 5 mg | 81 USD | 98 | 15 working days | Get Quote |
| 10 mg | 137 USD | 98 | 15 working days | Get Quote |
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1
MCULE-1161988505
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4182979555.sdf |
| SMILES | MCULE-4182979555.smiles |
| Standard InChI | MCULE-4182979555.inchi |
| InChIKey | MCULE-4182979555.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892414254 | 99 | As is | 11 mg |
| P-893280383 | 98 | Main component | 1.428 g |
| P-851310226 | 95 | Main component | by synthesis |
| P-1263259935 | 95 | Main component | by synthesis |
| P-895181498 | 95 | Main component | in stock |
| P-887184548 | 95 | Main component as a main component | by synthesis |
| P-1272498177 | 95 | Main component as a main component | by synthesis |
| P-854713328 | 95 | Main component as a main component | in stock |
| P-904368892 | 95 | Main component as a main component | in stock |
| P-617401747 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 597.891 |
| logP | 6.4423 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 122.47 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 159.0228 |
| Atoms | 67 |
| Rings | 4 |
| Heavy atoms | 39 |
| Hydrogen atoms | 28 |
| Heteroatoms | 13 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
