4-((Methoxycarbonyl)amino)benzoic acid
TL;DR: 4-((Methoxycarbonyl)amino)benzoic acid (CAS 30063-17-3) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxycarbonylamino)benzoic acid
Also Known As: 4-[(METHOXYCARBONYL)AMINO]BENZOIC ACID, 4-(methoxycarbonylamino)benzoic acid, Benzoic acid, 4-[(methoxycarbonyl)amino]-, 4-((Methoxycarbonyl)amino)benzoic acid, 4-(Methoxycarbonyl)aminobenzoic acid
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 30063-17-3 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | JSUHHMXMSAXTMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((Methoxycarbonyl)amino)benzoic acid (CAS 30063-17-3), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 4-(methoxycarbonylamino)benzoic acid.
Chemical Property Profile of 4-((Methoxycarbonyl)amino)benzoic acid
Property Insights of 4-((Methoxycarbonyl)amino)benzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Methoxycarbonyl)amino)benzoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((Methoxycarbonyl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((Methoxycarbonyl)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-((Methoxycarbonyl)amino)benzoic acid?
The CAS number of 4-((Methoxycarbonyl)amino)benzoic acid is 30063-17-3.
What is the molecular formula of 4-((Methoxycarbonyl)amino)benzoic acid?
The molecular formula of 4-((Methoxycarbonyl)amino)benzoic acid is C9H9NO4.
What is the molecular weight of 4-((Methoxycarbonyl)amino)benzoic acid?
The molecular weight of 4-((Methoxycarbonyl)amino)benzoic acid is 195.05 g/mol.
Where can I buy 4-((Methoxycarbonyl)amino)benzoic acid?
You can request a quote for 4-((Methoxycarbonyl)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-((Methoxycarbonyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((Methoxycarbonyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.