![4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester structure](/static/products/1009/1009534-08-0.webp)
4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester
TL;DR: 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester (CAS 1009534-08-0) is a chemical compound with molecular formula C15H19N3O4 and molecular weight 305.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
Also Known As: CBKinase1_006443, CBKinase1_018843, BAS 08978467, 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester, ethyl 4-(2-(3-oxopiperazin-2-yl)acetamido)benzoate
| Molecular Formula | C15H19N3O4 |
|---|---|
| Molecular Weight | 305.14 g/mol |
| LogP | 0.2799 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.13754 |
| Heavy Atoms | 22 |
| Complexity | 556.4109 |
Chemical Identifiers
| CAS Number | 1009534-08-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2 |
Product Overview
4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester (CAS 1009534-08-0), with molecular formula C15H19N3O4 and molecular weight 305.14 g/mol. IUPAC: ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester
Property Insights of 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester
The XLogP value of 0.2799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester. Following Lipinski's Rule of Five, 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester has 3 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-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester?
The CAS number of 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester is 1009534-08-0.
What is the molecular formula of 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester?
The molecular formula of 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester is C15H19N3O4.
What is the molecular weight of 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester?
The molecular weight of 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester is 305.14 g/mol.
Where can I buy 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester?
You can request a quote for 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl 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-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(3-Oxo-piperazin-2-yl)-acetylamino]-benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.