AN-698/40704385
TL;DR: AN-698/40704385 (CAS 443872-80-8) is a chemical compound with molecular formula C20H18N2O4S and molecular weight 382.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: AN-698/40704385, 3-((E)-((Z)-5-(4-methoxy-3-methylbenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-{[5-(4-methoxy-3-methylbenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 3-[[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 3-{[(2E,5Z)-5-(4-methoxy-3-methylbenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
| Molecular Formula | C20H18N2O4S |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | 3.93562 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.09872 |
| Heavy Atoms | 27 |
| Complexity | 981.697 |
Chemical Identifiers
| CAS Number | 443872-80-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=NC3=CC=CC(=C3)C(=O)O)S2)C)OC |
Product Overview
AN-698/40704385 (CAS 443872-80-8), with molecular formula C20H18N2O4S and molecular weight 382.10 g/mol. IUPAC: 3-[[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of AN-698/40704385
Property Insights of AN-698/40704385
The XLogP value of 3.93562 indicates that AN-698/40704385 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-698/40704385. Following Lipinski's Rule of Five, AN-698/40704385 has 1 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-698/40704385?
The CAS number of AN-698/40704385 is 443872-80-8.
What is the molecular formula of AN-698/40704385?
The molecular formula of AN-698/40704385 is C20H18N2O4S.
What is the molecular weight of AN-698/40704385?
The molecular weight of AN-698/40704385 is 382.10 g/mol.
Where can I buy AN-698/40704385?
You can request a quote for AN-698/40704385 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40704385?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40704385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.