AB00116842-01
TL;DR: AB00116842-01 (CAS 431932-32-0) is a chemical compound with molecular formula C21H18Cl2N2O6 and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-ethoxyphenoxy]acetic acid
Also Known As: AB00116842-01, (2-chloro-4-{(Z)-[1-(4-chlorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)acetic acid, (2-chloro-4-{[1-(4-chlorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-6-ethoxyphenoxy)acetic acid, (Z)-2-(2-chloro-4-((1-(4-chlorobenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-6-ethoxyphenoxy)acetic acid, 2-(2-CHLORO-4-{[(4Z)-1-[(4-CHLOROPHENYL)METHYL]-2,5-DIOXOIMIDAZOLIDIN-4-YLIDENE]METHYL}-6-ETHOXYPHENOXY)ACETIC ACID
| Molecular Formula | C21H18Cl2N2O6 |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 3.9484 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.0542 |
| Heavy Atoms | 31 |
| Complexity | 1052.5807 |
Chemical Identifiers
| CAS Number | 431932-32-0 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Cl)Cl)OCC(=O)O |
Product Overview
AB00116842-01 (CAS 431932-32-0), with molecular formula C21H18Cl2N2O6 and molecular weight 464.05 g/mol. IUPAC: 2-[2-chloro-4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-ethoxyphenoxy]acetic acid.
Chemical Property Profile of AB00116842-01
Property Insights of AB00116842-01
The XLogP value of 3.9484 indicates that AB00116842-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116842-01. Following Lipinski's Rule of Five, AB00116842-01 has 2 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 AB00116842-01?
The CAS number of AB00116842-01 is 431932-32-0.
What is the molecular formula of AB00116842-01?
The molecular formula of AB00116842-01 is C21H18Cl2N2O6.
What is the molecular weight of AB00116842-01?
The molecular weight of AB00116842-01 is 464.05 g/mol.
Where can I buy AB00116842-01?
You can request a quote for AB00116842-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116842-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116842-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.