AN-989/40683456
TL;DR: AN-989/40683456 (CAS 428830-63-1) is a chemical compound with molecular formula C18H13ClN2O6S and molecular weight 420.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-chlorophenyl)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AN-989/40683456, (5Z)-3-(3-chlorophenyl)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione, 3-(3-chlorophenyl)-5-{2-nitro-4,5-dimethoxybenzylidene}-1,3-thiazolidine-2,4-dione, (5Z)-3-(3-chlorophenyl)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1,3-thiazolidine-2,4-dione, 3-(3-chlorophenyl)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C18H13ClN2O6S |
|---|---|
| Molecular Weight | 420.02 g/mol |
| LogP | 4.5063 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.01828 |
| Heavy Atoms | 28 |
| Complexity | 1023.13055 |
Chemical Identifiers
| CAS Number | 428830-63-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC(=CC=C3)Cl)[N+](=O)[O-])OC |
Product Overview
AN-989/40683456 (CAS 428830-63-1), with molecular formula C18H13ClN2O6S and molecular weight 420.02 g/mol. IUPAC: (5Z)-3-(3-chlorophenyl)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-989/40683456
Property Insights of AN-989/40683456
The XLogP value of 4.5063 indicates that AN-989/40683456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683456. Following Lipinski's Rule of Five, AN-989/40683456 has 0 hydrogen bond donor(s) and 7 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-989/40683456?
The CAS number of AN-989/40683456 is 428830-63-1.
What is the molecular formula of AN-989/40683456?
The molecular formula of AN-989/40683456 is C18H13ClN2O6S.
What is the molecular weight of AN-989/40683456?
The molecular weight of AN-989/40683456 is 420.02 g/mol.
Where can I buy AN-989/40683456?
You can request a quote for AN-989/40683456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683456?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.