AN-989/40683578
TL;DR: AN-989/40683578 (CAS 428834-20-2) is a chemical compound with molecular formula C21H16ClNO4S and molecular weight 413.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(4-chlorophenyl)-5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AN-989/40683578, (5Z)-3-(4-chlorophenyl)-5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione, (5Z)-3-(4-chlorophenyl)-5-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione, 3-(4-chlorophenyl)-5-[3-ethoxy-4-(2-propynyloxy)benzylidene]-1,3-thiazolidine-2,4-dione, 3-(4-chlorophenyl)-5-[3-ethoxy-4-(2-propyn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C21H16ClNO4S |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | 4.9916 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.04886 |
| Heavy Atoms | 28 |
| Complexity | 978.8904 |
Chemical Identifiers
| CAS Number | 428834-20-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC=C(C=C3)Cl)OCC#C |
Product Overview
AN-989/40683578 (CAS 428834-20-2), with molecular formula C21H16ClNO4S and molecular weight 413.05 g/mol. IUPAC: (5Z)-3-(4-chlorophenyl)-5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-989/40683578
Property Insights of AN-989/40683578
The XLogP value of 4.9916 indicates that AN-989/40683578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, AN-989/40683578 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-989/40683578 has 0 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 AN-989/40683578?
The CAS number of AN-989/40683578 is 428834-20-2.
What is the molecular formula of AN-989/40683578?
The molecular formula of AN-989/40683578 is C21H16ClNO4S.
What is the molecular weight of AN-989/40683578?
The molecular weight of AN-989/40683578 is 413.05 g/mol.
Where can I buy AN-989/40683578?
You can request a quote for AN-989/40683578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683578?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.