AS-871/43354796
TL;DR: AS-871/43354796 (CAS 873682-11-2) is a chemical compound with molecular formula C20H14FN3O4S2 and molecular weight 443.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Also Known As: AS-871/43354796, (4E)-5-(2-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione, 1-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)-4-(furan-2-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-one, 1-[5-(allylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-4-(2-furoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
| Molecular Formula | C20H14FN3O4S2 |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 4.3312 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.041 |
| Heavy Atoms | 30 |
| Complexity | 1156.5304 |
Chemical Identifiers
| CAS Number | 873682-11-2 |
|---|---|
| SMILES | C=CCSC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CC=C4F |
Product Overview
AS-871/43354796 (CAS 873682-11-2), with molecular formula C20H14FN3O4S2 and molecular weight 443.04 g/mol. IUPAC: 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
Chemical Property Profile of AS-871/43354796
Property Insights of AS-871/43354796
The XLogP value of 4.3312 indicates that AS-871/43354796 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43354796. Following Lipinski's Rule of Five, AS-871/43354796 has 1 hydrogen bond donor(s) and 8 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-871/43354796?
The CAS number of AS-871/43354796 is 873682-11-2.
What is the molecular formula of AS-871/43354796?
The molecular formula of AS-871/43354796 is C20H14FN3O4S2.
What is the molecular weight of AS-871/43354796?
The molecular weight of AS-871/43354796 is 443.04 g/mol.
Where can I buy AS-871/43354796?
You can request a quote for AS-871/43354796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43354796?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43354796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.