![2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid structure](/static/products/101/101646-18-8.png)
2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid
TL;DR: 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid (CAS 101646-18-8) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxy-3-oxopropanoyl)amino]benzoic acid
Also Known As: 2-carboxymalonanilic acid ethyl ester, 2-[(3-ethoxy-3-oxopropanoyl)amino]benzoic acid, AB00076194-01, 2-(3-ETHOXY-3-OXOPROPANAMIDO)BENZOIC ACID
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.2765 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 469.2905 |
Chemical Identifiers
| CAS Number | 101646-18-8 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=CC=CC=C1C(=O)O |
Product Overview
2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid (CAS 101646-18-8), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 2-[(3-ethoxy-3-oxopropanoyl)amino]benzoic acid.
Chemical Property Profile of 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid
Property Insights of 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid
The XLogP value of 1.2765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid has 2 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 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid?
The CAS number of 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid is 101646-18-8.
What is the molecular formula of 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid?
The molecular formula of 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid is C12H13NO5.
What is the molecular weight of 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid?
The molecular weight of 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid is 251.08 g/mol.
Where can I buy 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid?
You can request a quote for 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Ethoxy-3-oxopropanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.