AN-989/40683776
TL;DR: AN-989/40683776 (CAS 443876-26-4) is a chemical compound with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
Also Known As: AN-989/40683776, methyl 4-[[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate, methyl 4-{[5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate, methyl 4-((E)-((Z)-5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate, methyl 4-{[(2E,5Z)-5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
| Molecular Formula | C20H18N2O5S |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.4212 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.09363 |
| Heavy Atoms | 28 |
| Complexity | 982.59064 |
Chemical Identifiers
| CAS Number | 443876-26-4 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC(=C(C=C2)OC)O)/SC1=NC3=CC=C(C=C3)C(=O)OC |
Product Overview
AN-989/40683776 (CAS 443876-26-4), with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol. IUPAC: methyl 4-[[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate.
Chemical Property Profile of AN-989/40683776
Property Insights of AN-989/40683776
The XLogP value of 3.4212 indicates that AN-989/40683776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683776. Following Lipinski's Rule of Five, AN-989/40683776 has 1 hydrogen bond donor(s) and 7 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-989/40683776?
The CAS number of AN-989/40683776 is 443876-26-4.
What is the molecular formula of AN-989/40683776?
The molecular formula of AN-989/40683776 is C20H18N2O5S.
What is the molecular weight of AN-989/40683776?
The molecular weight of AN-989/40683776 is 398.09 g/mol.
Where can I buy AN-989/40683776?
You can request a quote for AN-989/40683776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683776?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.