AS-871/40603876
TL;DR: AS-871/40603876 (CAS 307546-32-3) is a chemical compound with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
Also Known As: AS-871/40603876, 2-({3-[(5Z)-5-(4-ethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid, 2-[3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid, 2-({3-[5-(4-ethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid, (Z)-2-(3-(5-(4-ethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid
| Molecular Formula | C22H20N2O5S2 |
|---|---|
| Molecular Weight | 456.08 g/mol |
| LogP | 4.0135 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.08136 |
| Heavy Atoms | 31 |
| Complexity | 1050.1217 |
Chemical Identifiers
| CAS Number | 307546-32-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3C(=O)O |
Product Overview
AS-871/40603876 (CAS 307546-32-3), with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol. IUPAC: 2-[3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid.
Chemical Property Profile of AS-871/40603876
Property Insights of AS-871/40603876
The XLogP value of 4.0135 indicates that AS-871/40603876 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40603876. Following Lipinski's Rule of Five, AS-871/40603876 has 2 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 AS-871/40603876?
The CAS number of AS-871/40603876 is 307546-32-3.
What is the molecular formula of AS-871/40603876?
The molecular formula of AS-871/40603876 is C22H20N2O5S2.
What is the molecular weight of AS-871/40603876?
The molecular weight of AS-871/40603876 is 456.08 g/mol.
Where can I buy AS-871/40603876?
You can request a quote for AS-871/40603876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40603876?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40603876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.