AN-989/40683773
TL;DR: AN-989/40683773 (CAS 443874-82-6) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(5Z)-5-[(2-ethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
Also Known As: AN-989/40683773, methyl 4-((E)-((Z)-5-(2-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate, methyl 4-{[5-(2-ethoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate, methyl 4-[[(5Z)-5-[(2-ethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate, methyl 4-{[(2E,5Z)-5-(2-ethoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.1057 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 951.1329 |
Chemical Identifiers
| CAS Number | 443874-82-6 |
|---|---|
| SMILES | CCOC1=CC=CC=C1/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)C(=O)OC)S2)C |
Product Overview
AN-989/40683773 (CAS 443874-82-6), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: methyl 4-[[(5Z)-5-[(2-ethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate.
Chemical Property Profile of AN-989/40683773
Property Insights of AN-989/40683773
The XLogP value of 4.1057 indicates that AN-989/40683773 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683773. Following Lipinski's Rule of Five, AN-989/40683773 has 0 hydrogen bond donor(s) and 6 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-989/40683773?
The CAS number of AN-989/40683773 is 443874-82-6.
What is the molecular formula of AN-989/40683773?
The molecular formula of AN-989/40683773 is C21H20N2O4S.
What is the molecular weight of AN-989/40683773?
The molecular weight of AN-989/40683773 is 396.11 g/mol.
Where can I buy AN-989/40683773?
You can request a quote for AN-989/40683773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683773?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.