AS-871/42863961
TL;DR: AS-871/42863961 (CAS 692275-35-7) is a chemical compound with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-phenyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AS-871/42863961, 3-hydroxy-5-phenyl-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-phenyl-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 4-hydroxy-2-phenyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
| Molecular Formula | C20H17N3O3S2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 4.5059 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.07114 |
| Heavy Atoms | 28 |
| Complexity | 1055.5785 |
Chemical Identifiers
| CAS Number | 692275-35-7 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=C4 |
Product Overview
AS-871/42863961 (CAS 692275-35-7), with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol. IUPAC: 4-hydroxy-2-phenyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AS-871/42863961
Property Insights of AS-871/42863961
The XLogP value of 4.5059 indicates that AS-871/42863961 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-871/42863961. Following Lipinski's Rule of Five, AS-871/42863961 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-871/42863961?
The CAS number of AS-871/42863961 is 692275-35-7.
What is the molecular formula of AS-871/42863961?
The molecular formula of AS-871/42863961 is C20H17N3O3S2.
What is the molecular weight of AS-871/42863961?
The molecular weight of AS-871/42863961 is 411.07 g/mol.
Where can I buy AS-871/42863961?
You can request a quote for AS-871/42863961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42863961?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42863961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.