Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride (CAS 67032-29-5) is a chemical compound with molecular formula C23H24ClNO2 and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyloxyethyl(dibenzyl)azanium chloride
Also Known As: N-(2-Hydroxyethyl)dibenzylamine benzoate hydrochloride, 2-benzoyloxyethyl(dibenzyl)azanium chloride, BENZOIC ACID, 2-(DIBENZYLAMINO)ETHYL ESTER, HYDROCHLORIDE, Ethanol, 2-[bis(phenylmethyl)amino]-, benzoate (ester), hydrochloride, RefChem:1078968
| Molecular Formula | C23H24ClNO2 |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 0.13 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 381.14957 |
| Heavy Atoms | 27 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 67032-29-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[NH+](CCOC(=O)C2=CC=CC=C2)CC3=CC=CC=C3.[Cl-] |
| InChIKey | BAWQRQZIJSKAOK-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride (CAS 67032-29-5), with molecular formula C23H24ClNO2 and molecular weight 381.15 g/mol. IUPAC: 2-benzoyloxyethyl(dibenzyl)azanium chloride.
Chemical Property Profile of Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride
The XLogP value of 0.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 30.7 Ų, Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride 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, 2-(dibenzylamino)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride is 67032-29-5.
What is the molecular formula of Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride is C23H24ClNO2.
What is the molecular weight of Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride is 381.15 g/mol.
Where can I buy Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, 2-(dibenzylamino)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-(dibenzylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.