AN-698/40704904
TL;DR: AN-698/40704904 (CAS 491582-40-2) is a chemical compound with molecular formula C18H13ClN2O4S and molecular weight 388.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: AN-698/40704904, 3-((5-(5-Chloro-2-hydroxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-[[5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C18H13ClN2O4S |
|---|---|
| Molecular Weight | 388.03 g/mol |
| LogP | 3.9776 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.02844 |
| Heavy Atoms | 26 |
| Complexity | 971.4135 |
Chemical Identifiers
| CAS Number | 491582-40-2 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=C(C=CC(=C2)Cl)O)SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
AN-698/40704904 (CAS 491582-40-2), with molecular formula C18H13ClN2O4S and molecular weight 388.03 g/mol. IUPAC: 3-[[5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of AN-698/40704904
Property Insights of AN-698/40704904
The XLogP value of 3.9776 indicates that AN-698/40704904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40704904. Following Lipinski's Rule of Five, AN-698/40704904 has 2 hydrogen bond donor(s) and 5 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-698/40704904?
The CAS number of AN-698/40704904 is 491582-40-2.
What is the molecular formula of AN-698/40704904?
The molecular formula of AN-698/40704904 is C18H13ClN2O4S.
What is the molecular weight of AN-698/40704904?
The molecular weight of AN-698/40704904 is 388.03 g/mol.
Where can I buy AN-698/40704904?
You can request a quote for AN-698/40704904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40704904?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40704904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.