A3981/0169569
TL;DR: A3981/0169569 (CAS 879076-81-0) is a chemical compound with molecular formula C26H25ClN4O4 and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: A3981/0169569, ethyl 4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate, ethyl 4-(3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate, ethyl 4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C26H25ClN4O4 |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | 3.519 |
| Topological Polar Surface Area | 83.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.15643 |
| Heavy Atoms | 35 |
| Complexity | 1288.2563 |
Chemical Identifiers
| CAS Number | 879076-81-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl |
Product Overview
A3981/0169569 (CAS 879076-81-0), with molecular formula C26H25ClN4O4 and molecular weight 492.16 g/mol. IUPAC: ethyl 4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of A3981/0169569
Property Insights of A3981/0169569
The XLogP value of 3.519 indicates that A3981/0169569 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A3981/0169569. Following Lipinski's Rule of Five, A3981/0169569 has 0 hydrogen bond donor(s) and 7 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 A3981/0169569?
The CAS number of A3981/0169569 is 879076-81-0.
What is the molecular formula of A3981/0169569?
The molecular formula of A3981/0169569 is C26H25ClN4O4.
What is the molecular weight of A3981/0169569?
The molecular weight of A3981/0169569 is 492.16 g/mol.
Where can I buy A3981/0169569?
You can request a quote for A3981/0169569 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3981/0169569?
Yes, KEHONG BIO provides custom synthesis services for A3981/0169569 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.