AN-989/40768645
TL;DR: AN-989/40768645 (CAS 429643-72-1) is a chemical compound with molecular formula C20H15Cl2NO6S and molecular weight 467.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid
Also Known As: AN-989/40768645, AB00111233-01, (2-chloro-4-{[3-(2-chlorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid, 2-[2-chloro-4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid, (2-chloro-4-{(Z)-[3-(2-chlorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-6-methoxyphenoxy)acetic acid
| Molecular Formula | C20H15Cl2NO6S |
|---|---|
| Molecular Weight | 467.00 g/mol |
| LogP | 4.7019 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.99973 |
| Heavy Atoms | 30 |
| Complexity | 1055.5874 |
Chemical Identifiers
| CAS Number | 429643-72-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)Cl)OCC(=O)O |
Product Overview
AN-989/40768645 (CAS 429643-72-1), with molecular formula C20H15Cl2NO6S and molecular weight 467.00 g/mol. IUPAC: 2-[2-chloro-4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid.
Chemical Property Profile of AN-989/40768645
Property Insights of AN-989/40768645
The XLogP value of 4.7019 indicates that AN-989/40768645 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 AN-989/40768645. Following Lipinski's Rule of Five, AN-989/40768645 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 AN-989/40768645?
The CAS number of AN-989/40768645 is 429643-72-1.
What is the molecular formula of AN-989/40768645?
The molecular formula of AN-989/40768645 is C20H15Cl2NO6S.
What is the molecular weight of AN-989/40768645?
The molecular weight of AN-989/40768645 is 467.00 g/mol.
Where can I buy AN-989/40768645?
You can request a quote for AN-989/40768645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40768645?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40768645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.