Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)-
TL;DR: Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)- (CAS 2045-21-8) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloroethyl(ethyl)amino]benzoic acid
Also Known As: 4-[2-chloroethyl(ethyl)amino]benzoic acid, p-((2-Chloroethyl)ethylamino)benzoic acid, N,N-bis(2-bromoethyl)phenylamine, BENZOIC ACID, p-(N-(2-CHLOROETHYL)-N-ETHYLAMINO)-, 4-[(2-chloroethyl)(ethyl)amino]benzoic acid
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 2045-21-8 |
|---|---|
| SMILES | CCN(CCCl)C1=CC=C(C=C1)C(=O)O |
| InChIKey | ULODYZDCGAFRDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)- (CAS 2045-21-8), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: 4-[2-chloroethyl(ethyl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)-
Property Insights of Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)-. With a topological polar surface area (TPSA) of 40.5 Ų, Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)- 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 Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)-?
The CAS number of Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)- is 2045-21-8.
What is the molecular formula of Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)-?
The molecular formula of Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)- is C11H14ClNO2.
What is the molecular weight of Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)-?
The molecular weight of Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)- is 227.07 g/mol.
Where can I buy Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)-?
You can request a quote for Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(N-(2-chloroethyl)-N-ethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.