AN-989/40683612
TL;DR: AN-989/40683612 (CAS 428829-34-9) is a chemical compound with molecular formula C20H15Cl2NO5S and molecular weight 451.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
Also Known As: AN-989/40683612, ethyl (2-chloro-4-{[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate, ethyl 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate, (Z)-ethyl 2-(2-chloro-4-((3-(4-chlorophenyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)acetate, ethyl (2-chloro-4-{(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
| Molecular Formula | C20H15Cl2NO5S |
|---|---|
| Molecular Weight | 451.00 g/mol |
| LogP | 5.1762 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.0048 |
| Heavy Atoms | 29 |
| Complexity | 990.86615 |
Chemical Identifiers
| CAS Number | 428829-34-9 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC=C(C=C3)Cl)Cl |
Product Overview
AN-989/40683612 (CAS 428829-34-9), with molecular formula C20H15Cl2NO5S and molecular weight 451.00 g/mol. IUPAC: ethyl 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of AN-989/40683612
Property Insights of AN-989/40683612
The XLogP value of 5.1762 indicates that AN-989/40683612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683612. Following Lipinski's Rule of Five, AN-989/40683612 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-989/40683612?
The CAS number of AN-989/40683612 is 428829-34-9.
What is the molecular formula of AN-989/40683612?
The molecular formula of AN-989/40683612 is C20H15Cl2NO5S.
What is the molecular weight of AN-989/40683612?
The molecular weight of AN-989/40683612 is 451.00 g/mol.
Where can I buy AN-989/40683612?
You can request a quote for AN-989/40683612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683612?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.