4-((Ethoxycarbonyl)amino)benzoic acid
TL;DR: 4-((Ethoxycarbonyl)amino)benzoic acid (CAS 5180-75-6) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(ethoxycarbonylamino)benzoic acid
Also Known As: 4-((Ethoxycarbonyl)amino)benzoic acid, 4-(ethoxycarbonylamino)benzoic acid, 4-[(Ethoxycarbonyl)amino]benzoic acid, p-(Ethoxycarbonylamino)benzoic acid, N-(4-Bromophenyl)picolinamide
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 5180-75-6 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | LRQYSIQVFJYQNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((Ethoxycarbonyl)amino)benzoic acid (CAS 5180-75-6), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 4-(ethoxycarbonylamino)benzoic acid.
Chemical Property Profile of 4-((Ethoxycarbonyl)amino)benzoic acid
Property Insights of 4-((Ethoxycarbonyl)amino)benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Ethoxycarbonyl)amino)benzoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((Ethoxycarbonyl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((Ethoxycarbonyl)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 4-((Ethoxycarbonyl)amino)benzoic acid?
The CAS number of 4-((Ethoxycarbonyl)amino)benzoic acid is 5180-75-6.
What is the molecular formula of 4-((Ethoxycarbonyl)amino)benzoic acid?
The molecular formula of 4-((Ethoxycarbonyl)amino)benzoic acid is C10H11NO4.
What is the molecular weight of 4-((Ethoxycarbonyl)amino)benzoic acid?
The molecular weight of 4-((Ethoxycarbonyl)amino)benzoic acid is 209.07 g/mol.
Where can I buy 4-((Ethoxycarbonyl)amino)benzoic acid?
You can request a quote for 4-((Ethoxycarbonyl)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 4-((Ethoxycarbonyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((Ethoxycarbonyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.