AB00116073-01
TL;DR: AB00116073-01 (CAS 369398-64-1) is a chemical compound with molecular formula C20H16ClNO4 and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]prop-2-enoic acid
Also Known As: AB00116073-01, (E)-3-[3-[3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]prop-2-enoic acid, (2E)-3-{3-[3-(4-chlorobenzyl)-2,5-dioxopyrrolidin-1-yl]phenyl}prop-2-enoic acid, (E)-3-(3-(3-(4-chlorobenzyl)-2,5-dioxopyrrolidin-1-yl)phenyl)acrylic acid, 3-[3-[3-[(4-chlorophenyl)methyl]-2,5-dioxo-pyrrolidin-1-yl]phenyl]prop-2-enoic Acid
| Molecular Formula | C20H16ClNO4 |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 3.56 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.07678 |
| Heavy Atoms | 26 |
| Complexity | 888.93915 |
Chemical Identifiers
| CAS Number | 369398-64-1 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=CC(=C2)/C=C/C(=O)O)CC3=CC=C(C=C3)Cl |
Product Overview
AB00116073-01 (CAS 369398-64-1), with molecular formula C20H16ClNO4 and molecular weight 369.08 g/mol. IUPAC: (E)-3-[3-[3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]prop-2-enoic acid.
Chemical Property Profile of AB00116073-01
Property Insights of AB00116073-01
The XLogP value of 3.56 indicates that AB00116073-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116073-01. Following Lipinski's Rule of Five, AB00116073-01 has 1 hydrogen bond donor(s) and 3 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 AB00116073-01?
The CAS number of AB00116073-01 is 369398-64-1.
What is the molecular formula of AB00116073-01?
The molecular formula of AB00116073-01 is C20H16ClNO4.
What is the molecular weight of AB00116073-01?
The molecular weight of AB00116073-01 is 369.08 g/mol.
Where can I buy AB00116073-01?
You can request a quote for AB00116073-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116073-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116073-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.