AN-989/40683797
TL;DR: AN-989/40683797 (CAS 497835-46-8) is a chemical compound with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoate
Also Known As: AN-989/40683797, methyl 4-({5-[4-(allyloxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoate, methyl 4-((E)-((Z)-5-(4-(allyloxy)benzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate, methyl 4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoate, methyl 4-({(2E,5Z)-3-methyl-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}amino)benzoate
| Molecular Formula | C22H20N2O4S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 4.2718 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.11438 |
| Heavy Atoms | 29 |
| Complexity | 978.8768 |
Chemical Identifiers
| CAS Number | 497835-46-8 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=C(C=C2)OCC=C)/SC1=NC3=CC=C(C=C3)C(=O)OC |
Product Overview
AN-989/40683797 (CAS 497835-46-8), with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol. IUPAC: methyl 4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoate.
Chemical Property Profile of AN-989/40683797
Property Insights of AN-989/40683797
The XLogP value of 4.2718 indicates that AN-989/40683797 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-989/40683797. Following Lipinski's Rule of Five, AN-989/40683797 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-989/40683797?
The CAS number of AN-989/40683797 is 497835-46-8.
What is the molecular formula of AN-989/40683797?
The molecular formula of AN-989/40683797 is C22H20N2O4S.
What is the molecular weight of AN-989/40683797?
The molecular weight of AN-989/40683797 is 408.11 g/mol.
Where can I buy AN-989/40683797?
You can request a quote for AN-989/40683797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683797?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.