3-(2-Acetamidoethyl)benzoic acid
TL;DR: 3-(2-Acetamidoethyl)benzoic acid (CAS 199535-05-2) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-acetamidoethyl)benzoic acid
Also Known As: 3-(2-acetamidoethyl)benzoic acid, Benzoic acid, 3-[2-(acetylamino)ethyl]-, (1r)-1-acetamido-2-(3-carboxy-phenyl)ethane
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 199535-05-2 |
|---|---|
| SMILES | CC(=O)NCCC1=CC(=CC=C1)C(=O)O |
| InChIKey | NHAYGOREPDMQGH-UHFFFAOYSA-N |
Product Overview
3-(2-Acetamidoethyl)benzoic acid (CAS 199535-05-2), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 3-(2-acetamidoethyl)benzoic acid.
Chemical Property Profile of 3-(2-Acetamidoethyl)benzoic acid
Property Insights of 3-(2-Acetamidoethyl)benzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Acetamidoethyl)benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Acetamidoethyl)benzoic acid. Following Lipinski's Rule of Five, 3-(2-Acetamidoethyl)benzoic acid has 2 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 3-(2-Acetamidoethyl)benzoic acid?
The CAS number of 3-(2-Acetamidoethyl)benzoic acid is 199535-05-2.
What is the molecular formula of 3-(2-Acetamidoethyl)benzoic acid?
The molecular formula of 3-(2-Acetamidoethyl)benzoic acid is C11H13NO3.
What is the molecular weight of 3-(2-Acetamidoethyl)benzoic acid?
The molecular weight of 3-(2-Acetamidoethyl)benzoic acid is 207.09 g/mol.
Where can I buy 3-(2-Acetamidoethyl)benzoic acid?
You can request a quote for 3-(2-Acetamidoethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Acetamidoethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Acetamidoethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.