AS-871/43354753
TL;DR: AS-871/43354753 (CAS 866246-61-9) is a chemical compound with molecular formula C20H17N3O3S3 and molecular weight 443.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-phenyl-1-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AS-871/43354753, (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-phenyl-1-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione, 3-hydroxy-5-phenyl-1-(5-(propylthio)-1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 3-hydroxy-5-phenyl-1-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-5-phenyl-1-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C20H17N3O3S3 |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 4.8846 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.0432 |
| Heavy Atoms | 29 |
| Complexity | 1061.0991 |
Chemical Identifiers
| CAS Number | 866246-61-9 |
|---|---|
| SMILES | CCCSC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=C4 |
Product Overview
AS-871/43354753 (CAS 866246-61-9), with molecular formula C20H17N3O3S3 and molecular weight 443.04 g/mol. IUPAC: 4-hydroxy-2-phenyl-1-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AS-871/43354753
Property Insights of AS-871/43354753
The XLogP value of 4.8846 indicates that AS-871/43354753 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43354753. Following Lipinski's Rule of Five, AS-871/43354753 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-871/43354753?
The CAS number of AS-871/43354753 is 866246-61-9.
What is the molecular formula of AS-871/43354753?
The molecular formula of AS-871/43354753 is C20H17N3O3S3.
What is the molecular weight of AS-871/43354753?
The molecular weight of AS-871/43354753 is 443.04 g/mol.
Where can I buy AS-871/43354753?
You can request a quote for AS-871/43354753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43354753?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43354753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.