Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride
TL;DR: Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride (CAS 34320-74-6) is a chemical compound with molecular formula C13H19Cl2NO2 and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-chlorobenzoate;hydrochloride
Also Known As: NIOSH/DG4995250, 2-diethylaminoethyl 4-chlorobenzoate, Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride, 2-(diethylamino)ethyl 4-chlorobenzoate;hydrochloride, 2-diethylaminoethyl 4-chlorobenzoate hydrochloride
| Molecular Formula | C13H19Cl2NO2 |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 3.2604 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.07928 |
| Heavy Atoms | 18 |
| Complexity | 350.5138 |
Chemical Identifiers
| CAS Number | 34320-74-6 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)Cl.Cl |
Product Overview
Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride (CAS 34320-74-6), with molecular formula C13H19Cl2NO2 and molecular weight 291.08 g/mol. IUPAC: 2-(diethylamino)ethyl 4-chlorobenzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride
Property Insights of Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride
The XLogP value of 3.2604 indicates that Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride has 0 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, 2-(diethylamino)ethyl ester hydrochloride?
The CAS number of Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride is 34320-74-6.
What is the molecular formula of Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride?
The molecular formula of Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride is C13H19Cl2NO2.
What is the molecular weight of Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride?
The molecular weight of Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride is 291.08 g/mol.
Where can I buy Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride?
You can request a quote for Benzoic acid, 2-(diethylamino)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 Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(diethylamino)ethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.