TL;DR: Carbanilic acid, o-(nonyloxy)-, 3-piperidinopropyl ester, hydrochloride (CAS 69538-19-8) is a chemical compound with molecular formula C24H41ClN2O3 and molecular weight 440.28058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-piperidin-1-ium-1-ylpropyl N-(2-nonoxyphenyl)carbamate chloride
Also Known As: o-(Nonyloxy)carbanilic acid 3-piperidinopropyl ester hydrochloride, CARBANILIC ACID, o-(NONYLOXY)-, 3-PIPERIDINOPROPYL ESTER, HYDROCHLORIDE, Carbamic acid, (2-(nonloxy)phenyl)-, 3-(1-piperidinyl)propyl ester, hydrochloride, 3-piperidin-1-ium-1-ylpropyl N-(2-nonoxyphenyl)carbamate chloride
| Molecular Formula | C24H41ClN2O3 |
| Molecular Weight | 440.28058 g/mol |
| XLogP | 1.83 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 440.28058 Da |
| Heavy Atoms | 30 |
| Complexity | 413.0 |
| SMILES | CCCCCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | ILTSEWOTSZUDRX-UHFFFAOYSA-N |
The XLogP value of 1.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, o-(nonyloxy)-, 3-piperidinopropyl ester, hydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, o-(nonyloxy)-, 3-piperidinopropyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, o-(nonyloxy)-, 3-piperidinopropyl ester, hydrochloride 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, o-(nonyloxy)-, 3-piperidinopropyl ester, hydrochloride is 69538-19-8.
The molecular formula of Carbanilic acid, o-(nonyloxy)-, 3-piperidinopropyl ester, hydrochloride is C24H41ClN2O3.
The molecular weight of Carbanilic acid, o-(nonyloxy)-, 3-piperidinopropyl ester, hydrochloride is 440.28058 g/mol.
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