AN-989/40683450
TL;DR: AN-989/40683450 (CAS 428838-70-4) is a chemical compound with molecular formula C17H11ClN2O6S and molecular weight 406.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AN-989/40683450, 3-(3-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-1,3-thiazolidine-2,4-dione, (5Z)-3-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione, 3-(3-chlorophenyl)-5-{4-hydroxy-3-nitro-5-methoxybenzylidene}-1,3-thiazolidine-2,4-dione, (5Z)-3-(3-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)thiazolidine-2,4-quinone
| Molecular Formula | C17H11ClN2O6S |
|---|---|
| Molecular Weight | 406.00 g/mol |
| LogP | 4.2033 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.00262 |
| Heavy Atoms | 27 |
| Complexity | 1006.9133 |
Chemical Identifiers
| CAS Number | 428838-70-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)C3=CC(=CC=C3)Cl |
Product Overview
AN-989/40683450 (CAS 428838-70-4), with molecular formula C17H11ClN2O6S and molecular weight 406.00 g/mol. IUPAC: (5Z)-3-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-989/40683450
Property Insights of AN-989/40683450
The XLogP value of 4.2033 indicates that AN-989/40683450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683450. Following Lipinski's Rule of Five, AN-989/40683450 has 1 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-989/40683450?
The CAS number of AN-989/40683450 is 428838-70-4.
What is the molecular formula of AN-989/40683450?
The molecular formula of AN-989/40683450 is C17H11ClN2O6S.
What is the molecular weight of AN-989/40683450?
The molecular weight of AN-989/40683450 is 406.00 g/mol.
Where can I buy AN-989/40683450?
You can request a quote for AN-989/40683450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683450?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.