![Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester structure](/static/products/6428/64288-19-3.webp)
Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester
TL;DR: Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester (CAS 64288-19-3) is a chemical compound with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-chlorophenyl)methylamino]benzoate
Also Known As: Ethyl 4-(4-chlorobenzylamino)-benzoate, ethyl 4-[(4-chlorophenyl)methylamino]benzoate, ethyl-4-(4-chlorobenzylamino)-benzoate, ethyl 4-[(4-chlorobenzyl)amino]benzoate, 3,5-Cyclohexadiene-1,2-diol,diacetate,trans
| Molecular Formula | C16H16ClNO2 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.08694 |
| Heavy Atoms | 20 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 64288-19-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=CC=C(C=C2)Cl |
| InChIKey | KMCKWPLCLFTTHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester (CAS 64288-19-3), with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol. IUPAC: ethyl 4-[(4-chlorophenyl)methylamino]benzoate.
Chemical Property Profile of Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester
Property Insights of Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester
The XLogP value of 4.2 indicates that Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl 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 Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester?
The CAS number of Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester is 64288-19-3.
What is the molecular formula of Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester?
The molecular formula of Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester is C16H16ClNO2.
What is the molecular weight of Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester?
The molecular weight of Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester is 289.09 g/mol.
Where can I buy Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester?
You can request a quote for Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[[(4-chlorophenyl)methyl]amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.