![4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester structure](/static/products/6201/620100-69-8.webp)
4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester
TL;DR: 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester (CAS 620100-69-8) is a chemical compound with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
Also Known As: BAS 04280187, 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester, methyl 4-(2-(1H-indol-3-yl)-2-oxoacetamido)benzoate, methyl 4-(2-indol-3-yl-2-oxoacetylamino)benzoate, methyl 4-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
| Molecular Formula | C18H14N2O4 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 2.7759 |
| Topological Polar Surface Area | 88.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.09537 |
| Heavy Atoms | 24 |
| Complexity | 925.60156 |
Chemical Identifiers
| CAS Number | 620100-69-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C2=CNC3=CC=CC=C32 |
Product Overview
4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester (CAS 620100-69-8), with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol. IUPAC: methyl 4-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzoate.
Chemical Property Profile of 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester
Property Insights of 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester
The XLogP value of 2.7759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester. The TPSA of 88.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester. Following Lipinski's Rule of Five, 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester 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-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester?
The CAS number of 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester is 620100-69-8.
What is the molecular formula of 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester?
The molecular formula of 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester is C18H14N2O4.
What is the molecular weight of 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester?
The molecular weight of 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester is 322.10 g/mol.
Where can I buy 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester?
You can request a quote for 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.