Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)-
TL;DR: Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)- (CAS 199535-24-5) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3-(2-aminoethyl)benzoic acid
Also Known As: 4-acetamido-3-(2-aminoethyl)benzoic acid, Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)-
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 199535-24-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)O)CCN |
| InChIKey | ZBRNKJMMYNYRTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)- (CAS 199535-24-5), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 4-acetamido-3-(2-aminoethyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)-
Property Insights of Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)-
The XLogP value of -2.7 indicates that Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)- has 3 hydrogen bond donor(s) and 4 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-(acetylamino)-3-(2-aminoethyl)-?
The CAS number of Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)- is 199535-24-5.
What is the molecular formula of Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)-?
The molecular formula of Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)- is C11H14N2O3.
What is the molecular weight of Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)-?
The molecular weight of Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)- is 222.10 g/mol.
Where can I buy Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)-?
You can request a quote for Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)- 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-(acetylamino)-3-(2-aminoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.