Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester
TL;DR: Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester (CAS 15944-43-1) is a chemical compound with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ylbut-2-ynyl N-(3-chlorophenyl)carbamate
Also Known As: 4-(1-Pyrrolidinyl)-2-butynyl m-chlorocarbanilate, m-Chlorocarbanilic acid 4-(1-pyrrolidinyl)-2-butynyl ester, CARBANILIC ACID, m-CHLORO-, 4-(1-PYRROLIDINYL)-2-BUTYNYL ESTER, 4-pyrrolidin-1-ylbut-2-ynyl N-(3-chlorophenyl)carbamate, 4-(pyrrolidin-1-yl)but-2-yn-1-yl (3-chlorophenyl)carbamate
| Molecular Formula | C15H17ClN2O2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.09787 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 15944-43-1 |
|---|---|
| SMILES | C1CCN(C1)CC#CCOC(=O)NC2=CC(=CC=C2)Cl |
| InChIKey | ARFAGUMSEYHDPD-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester (CAS 15944-43-1), with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol. IUPAC: 4-pyrrolidin-1-ylbut-2-ynyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester
Property Insights of Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester has 1 hydrogen bond donor(s) and 3 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-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester?
The CAS number of Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester is 15944-43-1.
What is the molecular formula of Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester?
The molecular formula of Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester is C15H17ClN2O2.
What is the molecular weight of Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester?
The molecular weight of Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester is 292.10 g/mol.
Where can I buy Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester?
You can request a quote for Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester 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-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.