TL;DR: Carbanilic acid, m-(ethoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride (CAS 80171-62-6) is a chemical compound with molecular formula C16H25ClN2O3 and molecular weight 328.15536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyrrolidin-1-ium-1-ylethyl N-[3-(ethoxymethyl)phenyl]carbamate chloride
Also Known As: AMK 323, 2-(1-Pyrrolidinyl)ethyl m-(ethoxymethyl)carbanilate hydrochloride, m-(Ethoxymethyl)carbanilic acid 2-(1-pyrrolidinyl)ethyl ester hydrochloride, CARBANILIC ACID, m-(ETHOXYMETHYL)-, 2-(1-PYRROLIDINYL)ETHYL ESTER, HYDROCHLORIDE, 2-pyrrolidin-1-ium-1-ylethyl N-[3-(ethoxymethyl)phenyl]carbamate chloride
| Molecular Formula | C16H25ClN2O3 |
| Molecular Weight | 328.15536 g/mol |
| XLogP | -1.55 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.15536 Da |
| Heavy Atoms | 22 |
| Complexity | 306.0 |
| SMILES | CCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCC2.[Cl-] |
| InChIKey | GTVWUACERKLPKV-UHFFFAOYSA-N |
The XLogP value of -1.55 indicates that Carbanilic acid, m-(ethoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, m-(ethoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-(ethoxymethyl)-, 2-(1-pyrrolidinyl)ethyl 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, m-(ethoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is 80171-62-6.
The molecular formula of Carbanilic acid, m-(ethoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is C16H25ClN2O3.
The molecular weight of Carbanilic acid, m-(ethoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is 328.15536 g/mol.
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