TL;DR: Carbanilic acid, m-hexyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)- (CAS 38198-42-4) is a chemical compound with molecular formula C24H39ClN2O3 and molecular weight 438.26492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-hexoxyphenyl)carbamate chloride
Also Known As: (E)-2-Piperidinocyclohexyl m-hexyloxycarbanilate hydrochloride, m-Hexyloxycarbanilic acid trans-2-piperidinocyclohexyl ester hydrochloride, CARBANILIC ACID, m-HEXYLOXY-, 2-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDE, (E)-, [(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-hexoxyphenyl)carbamate chloride, [(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-hexoxyphenyl)carbamatechloride
| Molecular Formula | C24H39ClN2O3 |
| Molecular Weight | 438.26492 g/mol |
| XLogP | 1.58 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 438.26492 Da |
| Heavy Atoms | 30 |
| Complexity | 467.0 |
| SMILES | CCCCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2[NH+]3CCCCC3.[Cl-] |
| InChIKey | WIKPLDNFNROQFE-SJEIDVEUSA-N |
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, m-hexyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)-. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, m-hexyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-hexyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbanilic acid, m-hexyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)- is 38198-42-4.
The molecular formula of Carbanilic acid, m-hexyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)- is C24H39ClN2O3.
The molecular weight of Carbanilic acid, m-hexyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)- is 438.26492 g/mol.
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