AN-989/40683598
TL;DR: AN-989/40683598 (CAS 330831-68-0) is a chemical compound with molecular formula C16H8Cl3NO3S and molecular weight 398.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AN-989/40683598, 3-(4-chlorophenyl)-5-(3,5-dichloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione, (5Z)-3-(4-chlorophenyl)-5-(3,5-dichloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione, (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C16H8Cl3NO3S |
|---|---|
| Molecular Weight | 398.93 g/mol |
| LogP | 5.5933 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.92905 |
| Heavy Atoms | 24 |
| Complexity | 857.63153 |
Chemical Identifiers
| CAS Number | 330831-68-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)O)Cl)/SC2=O)Cl |
Product Overview
AN-989/40683598 (CAS 330831-68-0), with molecular formula C16H8Cl3NO3S and molecular weight 398.93 g/mol. IUPAC: (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-989/40683598
Property Insights of AN-989/40683598
The XLogP value of 5.5933 indicates that AN-989/40683598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, AN-989/40683598 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-989/40683598 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-989/40683598?
The CAS number of AN-989/40683598 is 330831-68-0.
What is the molecular formula of AN-989/40683598?
The molecular formula of AN-989/40683598 is C16H8Cl3NO3S.
What is the molecular weight of AN-989/40683598?
The molecular weight of AN-989/40683598 is 398.93 g/mol.
Where can I buy AN-989/40683598?
You can request a quote for AN-989/40683598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683598?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.