AS-871/42027732
TL;DR: AS-871/42027732 (CAS 488801-92-9) is a chemical compound with molecular formula C18H21NO5S3 and molecular weight 427.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid
Also Known As: AS-871/42027732, 2-[5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid, 2-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid, 2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid, (Z)-2-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-(methylthio)butanoic acid
| Molecular Formula | C18H21NO5S3 |
|---|---|
| Molecular Weight | 427.06 g/mol |
| LogP | 3.5014 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.0582 |
| Heavy Atoms | 27 |
| Complexity | 765.364 |
Chemical Identifiers
| CAS Number | 488801-92-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(CCSC)C(=O)O)OC |
Product Overview
AS-871/42027732 (CAS 488801-92-9), with molecular formula C18H21NO5S3 and molecular weight 427.06 g/mol. IUPAC: 2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of AS-871/42027732
Property Insights of AS-871/42027732
The XLogP value of 3.5014 indicates that AS-871/42027732 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42027732. Following Lipinski's Rule of Five, AS-871/42027732 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 AS-871/42027732?
The CAS number of AS-871/42027732 is 488801-92-9.
What is the molecular formula of AS-871/42027732?
The molecular formula of AS-871/42027732 is C18H21NO5S3.
What is the molecular weight of AS-871/42027732?
The molecular weight of AS-871/42027732 is 427.06 g/mol.
Where can I buy AS-871/42027732?
You can request a quote for AS-871/42027732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42027732?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42027732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.