AN-989/40662722
TL;DR: AN-989/40662722 (CAS 428504-87-4) is a chemical compound with molecular formula C21H17BrClNO4S and molecular weight 492.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
Also Known As: AN-989/40662722, 5-[4-(allyloxy)-3-bromo-5-ethoxybenzylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione, (5Z)-5-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione, (5Z)-5-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C21H17BrClNO4S |
|---|---|
| Molecular Weight | 492.98 g/mol |
| LogP | 6.3069 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.975 |
| Heavy Atoms | 29 |
| Complexity | 990.9208 |
Chemical Identifiers
| CAS Number | 428504-87-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC=C(C=C3)Cl)Br)OCC=C |
Product Overview
AN-989/40662722 (CAS 428504-87-4), with molecular formula C21H17BrClNO4S and molecular weight 492.98 g/mol. IUPAC: (5Z)-5-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-989/40662722
Property Insights of AN-989/40662722
The XLogP value of 6.3069 indicates that AN-989/40662722 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-989/40662722 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-989/40662722 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-989/40662722?
The CAS number of AN-989/40662722 is 428504-87-4.
What is the molecular formula of AN-989/40662722?
The molecular formula of AN-989/40662722 is C21H17BrClNO4S.
What is the molecular weight of AN-989/40662722?
The molecular weight of AN-989/40662722 is 492.98 g/mol.
Where can I buy AN-989/40662722?
You can request a quote for AN-989/40662722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40662722?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40662722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.