AB00111338-01
TL;DR: AB00111338-01 (CAS 428856-76-2) is a chemical compound with molecular formula C20H16ClNO6S and molecular weight 433.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
Also Known As: AB00111338-01, (4-{(Z)-[3-(2-chlorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)acetic acid, (Z)-2-(4-((3-(2-chlorobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-2-methoxyphenoxy)acetic acid, 2-[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
| Molecular Formula | C20H16ClNO6S |
|---|---|
| Molecular Weight | 433.04 g/mol |
| LogP | 4.0485 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.0387 |
| Heavy Atoms | 29 |
| Complexity | 1006.216 |
Chemical Identifiers
| CAS Number | 428856-76-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OCC(=O)O |
Product Overview
AB00111338-01 (CAS 428856-76-2), with molecular formula C20H16ClNO6S and molecular weight 433.04 g/mol. IUPAC: 2-[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of AB00111338-01
Property Insights of AB00111338-01
The XLogP value of 4.0485 indicates that AB00111338-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111338-01. Following Lipinski's Rule of Five, AB00111338-01 has 1 hydrogen bond donor(s) and 6 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 AB00111338-01?
The CAS number of AB00111338-01 is 428856-76-2.
What is the molecular formula of AB00111338-01?
The molecular formula of AB00111338-01 is C20H16ClNO6S.
What is the molecular weight of AB00111338-01?
The molecular weight of AB00111338-01 is 433.04 g/mol.
Where can I buy AB00111338-01?
You can request a quote for AB00111338-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111338-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111338-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.