AN-698/40704791
TL;DR: AN-698/40704791 (CAS 443871-80-5) is a chemical compound with molecular formula C23H24N2O4S and molecular weight 424.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: AN-698/40704791, 3-{[5-(5-isopropyl-4-methoxy-2-methylbenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 3-((E)-((Z)-5-(5-isopropyl-4-methoxy-2-methylbenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-[[(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 3-({(2E,5Z)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid
| Molecular Formula | C23H24N2O4S |
|---|---|
| Molecular Weight | 424.15 g/mol |
| LogP | 5.05902 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.1457 |
| Heavy Atoms | 30 |
| Complexity | 1072.8679 |
Chemical Identifiers
| CAS Number | 443871-80-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1/C=C\2/C(=O)N(C(=NC3=CC=CC(=C3)C(=O)O)S2)C)C(C)C)OC |
Product Overview
AN-698/40704791 (CAS 443871-80-5), with molecular formula C23H24N2O4S and molecular weight 424.15 g/mol. IUPAC: 3-[[(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of AN-698/40704791
Property Insights of AN-698/40704791
The XLogP value of 5.05902 indicates that AN-698/40704791 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40704791. Following Lipinski's Rule of Five, AN-698/40704791 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-698/40704791?
The CAS number of AN-698/40704791 is 443871-80-5.
What is the molecular formula of AN-698/40704791?
The molecular formula of AN-698/40704791 is C23H24N2O4S.
What is the molecular weight of AN-698/40704791?
The molecular weight of AN-698/40704791 is 424.15 g/mol.
Where can I buy AN-698/40704791?
You can request a quote for AN-698/40704791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40704791?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40704791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.