Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
TL;DR: Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride (CAS 80171-64-8) is a chemical compound with molecular formula C18H29ClN2O3 and molecular weight 356.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ium-1-ylethyl N-[3-(butoxymethyl)phenyl]carbamate chloride
Also Known As: AMK 343, 2-(1-Pyrrolidinyl)ethyl m-(butoxymethyl)carbanilate hydrochloride, m-(Butoxymethyl)carbanilic acid 2-(1-pyrrolidinyl)ethyl ester hydrochloride, CARBANILIC ACID, m-(BUTOXYMETHYL)-, 2-(1-PYRROLIDINYL)ETHYL ESTER, HYDROCHLORIDE, 2-pyrrolidin-1-ium-1-ylethyl N-[3-(butoxymethyl)phenyl]carbamate chloride
| Molecular Formula | C18H29ClN2O3 |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | -0.77 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 356.18668 |
| Heavy Atoms | 24 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 80171-64-8 |
|---|---|
| SMILES | CCCCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCC2.[Cl-] |
| InChIKey | FHRHEWDYZCUZTG-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride (CAS 80171-64-8), with molecular formula C18H29ClN2O3 and molecular weight 356.19 g/mol. IUPAC: 2-pyrrolidin-1-ium-1-ylethyl N-[3-(butoxymethyl)phenyl]carbamate chloride.
Chemical Property Profile of Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
Property Insights of Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
The XLogP value of -0.77 indicates that Carbanilic acid, m-(butoxymethyl)-, 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-(butoxymethyl)-, 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-(butoxymethyl)-, 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.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
The CAS number of Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is 80171-64-8.
What is the molecular formula of Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
The molecular formula of Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is C18H29ClN2O3.
What is the molecular weight of Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
The molecular weight of Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is 356.19 g/mol.
Where can I buy Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
You can request a quote for Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.