![4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester structure](/static/products/3125/312502-83-3.webp)
4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester
TL;DR: 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester (CAS 312502-83-3) is a chemical compound with molecular formula C20H23N3O3 and molecular weight 353.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzoate
Also Known As: BAS 01510024, methyl 4-(2-(4-phenylpiperazin-1-yl)acetamido)benzoate, methyl 4-[2-(4-phenylpiperazin-1-yl)acetamido]benzoate, methyl 4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzoate, methyl 4-[2-(4-phenylpiperazinyl)acetylamino]benzoate
| Molecular Formula | C20H23N3O3 |
|---|---|
| Molecular Weight | 353.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.17395 |
| Heavy Atoms | 26 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 312502-83-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3 |
| InChIKey | STLUFKJTWQAKNP-UHFFFAOYSA-N |
Product Overview
4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester (CAS 312502-83-3), with molecular formula C20H23N3O3 and molecular weight 353.17 g/mol. IUPAC: methyl 4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester
Property Insights of 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester. Following Lipinski's Rule of Five, 4-[2-(4-Phenyl-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-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
The CAS number of 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester is 312502-83-3.
What is the molecular formula of 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
The molecular formula of 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester is C20H23N3O3.
What is the molecular weight of 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
The molecular weight of 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester is 353.17 g/mol.
Where can I buy 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
You can request a quote for 4-[2-(4-Phenyl-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-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-Phenyl-piperazin-1-yl)-acetylamino]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.