Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)-
TL;DR: Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)- (CAS 199535-16-5) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3-(2-amino-2-oxoethyl)benzoic acid
Also Known As: Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)-, 4-acetamido-3-(2-amino-2-oxoethyl)benzoic acid, 4-acetamido-3-(2-amino-2-oxo-ethyl)benzoic acid
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 199535-16-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)O)CC(=O)N |
| InChIKey | RLMZPGZZIDPRAX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)- (CAS 199535-16-5), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 4-acetamido-3-(2-amino-2-oxoethyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)-
Property Insights of Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)-
The XLogP value of -0.6 indicates that Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)- 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-amino-2-oxoethyl)-?
The CAS number of Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)- is 199535-16-5.
What is the molecular formula of Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)-?
The molecular formula of Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)- is C11H12N2O4.
What is the molecular weight of Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)-?
The molecular weight of Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)- is 236.08 g/mol.
Where can I buy Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)-?
You can request a quote for Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)- 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-amino-2-oxoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(acetylamino)-3-(2-amino-2-oxoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.