3-Amino-4-(methoxycarbonyl)benzoic acid
TL;DR: 3-Amino-4-(methoxycarbonyl)benzoic acid (CAS 60728-41-8) 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.
3-amino-4-methoxycarbonylbenzoic acid
Also Known As: 1-Methyl 2-Aminoterephthalate, 3-amino-4-(methoxycarbonyl)benzoic acid, Inocor, 2-Aminoterephthalic Acid 1-Methyl Ester, 3-Amino-4-methoxycarbonylbenzoic Acid
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 0.7536 |
| Topological Polar Surface Area | 89.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 386.39838 |
Chemical Identifiers
| CAS Number | 60728-41-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)C(=O)O)N |
Product Overview
3-Amino-4-(methoxycarbonyl)benzoic acid (CAS 60728-41-8), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 3-amino-4-methoxycarbonylbenzoic acid.
Chemical Property Profile of 3-Amino-4-(methoxycarbonyl)benzoic acid
Property Insights of 3-Amino-4-(methoxycarbonyl)benzoic acid
The XLogP value of 0.7536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-(methoxycarbonyl)benzoic acid. The TPSA of 89.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-(methoxycarbonyl)benzoic acid. Following Lipinski's Rule of Five, 3-Amino-4-(methoxycarbonyl)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 3-Amino-4-(methoxycarbonyl)benzoic acid?
The CAS number of 3-Amino-4-(methoxycarbonyl)benzoic acid is 60728-41-8.
What is the molecular formula of 3-Amino-4-(methoxycarbonyl)benzoic acid?
The molecular formula of 3-Amino-4-(methoxycarbonyl)benzoic acid is C9H9NO4.
What is the molecular weight of 3-Amino-4-(methoxycarbonyl)benzoic acid?
The molecular weight of 3-Amino-4-(methoxycarbonyl)benzoic acid is 195.05 g/mol.
Where can I buy 3-Amino-4-(methoxycarbonyl)benzoic acid?
You can request a quote for 3-Amino-4-(methoxycarbonyl)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-Amino-4-(methoxycarbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(methoxycarbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.