AN-698/40782208
TL;DR: AN-698/40782208 (CAS 431885-03-9) is a chemical compound with molecular formula C23H23ClN2O4S and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-butan-2-yloxy-3-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
Also Known As: AN-698/40782208, 2-[(5Z)-5-[(4-butan-2-yloxy-3-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide, 2-[5-(4-sec-butoxy-3-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide, 2-(5-{[3-chloro-4-(methylpropoxy)phenyl]methylene}-2,4-dioxo(1,3-thiazolidin-3 -yl))-N-(4-methylphenyl)acetamide, 2-{(5Z)-5-[4-(butan-2-yloxy)-3-chlorobenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}-N-(4-methylphenyl)acetamide
| Molecular Formula | C23H23ClN2O4S |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 5.50072 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.10672 |
| Heavy Atoms | 31 |
| Complexity | 1036.3721 |
Chemical Identifiers
| CAS Number | 431885-03-9 |
|---|---|
| SMILES | CCC(C)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)C)Cl |
Product Overview
AN-698/40782208 (CAS 431885-03-9), with molecular formula C23H23ClN2O4S and molecular weight 458.11 g/mol. IUPAC: 2-[(5Z)-5-[(4-butan-2-yloxy-3-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of AN-698/40782208
Property Insights of AN-698/40782208
The XLogP value of 5.50072 indicates that AN-698/40782208 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40782208. Following Lipinski's Rule of Five, AN-698/40782208 has 1 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-698/40782208?
The CAS number of AN-698/40782208 is 431885-03-9.
What is the molecular formula of AN-698/40782208?
The molecular formula of AN-698/40782208 is C23H23ClN2O4S.
What is the molecular weight of AN-698/40782208?
The molecular weight of AN-698/40782208 is 458.11 g/mol.
Where can I buy AN-698/40782208?
You can request a quote for AN-698/40782208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40782208?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40782208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.