![4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester structure](/static/products/330/330556-97-3.png)
4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester
TL;DR: 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester (CAS 330556-97-3) is a chemical compound with molecular formula C21H25N3O3 and molecular weight 367.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzoate
Also Known As: BAS 01508925, A1694/0072263, methyl 4-(2-(4-(o-tolyl)piperazin-1-yl)acetamido)benzoate, 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester, methyl 4-({[4-(2-methylphenyl)-1-piperazinyl]acetyl}amino)benzoate
| Molecular Formula | C21H25N3O3 |
|---|---|
| Molecular Weight | 367.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.1896 |
| Heavy Atoms | 27 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 330556-97-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
| InChIKey | KUNZGSGPMKWPKT-UHFFFAOYSA-N |
Product Overview
4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester (CAS 330556-97-3), with molecular formula C21H25N3O3 and molecular weight 367.19 g/mol. IUPAC: methyl 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzoate.
Chemical Property Profile of 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester
Property Insights of 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester
The XLogP value of 3.0 indicates that 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester. Following Lipinski's Rule of Five, 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester has 1 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 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
The CAS number of 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester is 330556-97-3.
What is the molecular formula of 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
The molecular formula of 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester is C21H25N3O3.
What is the molecular weight of 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
The molecular weight of 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester is 367.19 g/mol.
Where can I buy 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
You can request a quote for 4-[2-(4-o-Tolyl-piperazin-1-yl)-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-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-o-Tolyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.