![2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid structure](/static/products/438/438534-85-1.png)
2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid
TL;DR: 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid (CAS 438534-85-1) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid
Also Known As: Benzoic acid, 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-, 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-benzoic Acid
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 3.35572 |
| Topological Polar Surface Area | 82.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 896.17303 |
Chemical Identifiers
| CAS Number | 438534-85-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=CNC3=CC=CC=C32 |
Product Overview
2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid (CAS 438534-85-1), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid.
Chemical Property Profile of 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid
Property Insights of 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid
The XLogP value of 3.35572 indicates that 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid. Following Lipinski's Rule of Five, 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid has 3 hydrogen bond donor(s) and 2 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-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid?
The CAS number of 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid is 438534-85-1.
What is the molecular formula of 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid?
The molecular formula of 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid is C18H16N2O3.
What is the molecular weight of 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid?
The molecular weight of 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid is 308.12 g/mol.
Where can I buy 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid?
You can request a quote for 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.