![2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid structure](/static/products/3306/330635-41-1.webp)
2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid
TL;DR: 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid (CAS 330635-41-1) is a chemical compound with molecular formula C17H17NO5 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
Also Known As: 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoic acid, BAS 00458143, 2-[2-(3,4-dimethoxyphenyl)acetamido]benzoic acid, 2-([(3,4-Dimethoxyphenyl)acetyl]amino)benzoic acid, 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
| Molecular Formula | C17H17NO5 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.1107 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 330635-41-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)O)OC |
| InChIKey | TXHQHQSMOXLSFH-UHFFFAOYSA-N |
Product Overview
2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid (CAS 330635-41-1), with molecular formula C17H17NO5 and molecular weight 315.11 g/mol. IUPAC: 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid.
Chemical Property Profile of 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid
Property Insights of 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 5 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-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid?
The CAS number of 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid is 330635-41-1.
What is the molecular formula of 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid?
The molecular formula of 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid is C17H17NO5.
What is the molecular weight of 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid?
The molecular weight of 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid is 315.11 g/mol.
Where can I buy 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid?
You can request a quote for 2-{[(3,4-Dimethoxyphenyl)acetyl]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-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3,4-Dimethoxyphenyl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.