AN-989/40683488
TL;DR: AN-989/40683488 (CAS 428827-22-9) is a chemical compound with molecular formula C18H13BrClNO4S and molecular weight 452.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
Also Known As: AN-989/40683488, 5-(2-bromo-4,5-dimethoxybenzylidene)-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione, (5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione, (5Z)-5-(2-bromo-4,5-dimethoxybenzylidene)-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C18H13BrClNO4S |
|---|---|
| Molecular Weight | 452.94 g/mol |
| LogP | 5.3606 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.94373 |
| Heavy Atoms | 26 |
| Complexity | 931.4023 |
Chemical Identifiers
| CAS Number | 428827-22-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC(=CC=C3)Cl)Br)OC |
Product Overview
AN-989/40683488 (CAS 428827-22-9), with molecular formula C18H13BrClNO4S and molecular weight 452.94 g/mol. IUPAC: (5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-989/40683488
Property Insights of AN-989/40683488
The XLogP value of 5.3606 indicates that AN-989/40683488 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-989/40683488 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-989/40683488 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-989/40683488?
The CAS number of AN-989/40683488 is 428827-22-9.
What is the molecular formula of AN-989/40683488?
The molecular formula of AN-989/40683488 is C18H13BrClNO4S.
What is the molecular weight of AN-989/40683488?
The molecular weight of AN-989/40683488 is 452.94 g/mol.
Where can I buy AN-989/40683488?
You can request a quote for AN-989/40683488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683488?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.