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MCULE-5404126632
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 | 68 USD | 90 | 22 working days | Get Quote |
| 5 mg | 83 USD | 90 | 22 working days | Get Quote |
| 10 mg | 102 USD | 90 | 22 working days | Get Quote |
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1
MCULE-3493747165
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5404126632.sdf |
| SMILES | MCULE-5404126632.smiles |
| Standard InChI | MCULE-5404126632.inchi |
| InChIKey | MCULE-5404126632.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892451229 | 90 | As is | 113 mg |
| P-616235054 | 90 | As is | 100 mg |
| P-903654196 | 94 | As is | by resynthesis (? - ? days) |
| P-596515137 | 90 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 229.701 |
| logP | -2.0748 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 53.94 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.8511 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 16 |
| 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 |
