![9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one structure](/static/products/727/727394-58-3.png)
9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
TL;DR: 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 727394-58-3) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-Thiophen-2-yl-6-(3,4,5-trimethoxy-phenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 9-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 3.7811 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1143.1467 |
Chemical Identifiers
| CAS Number | 727394-58-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(N4C(=NC=N4)N3)C5=CC=CS5)C(=O)C2 |
Product Overview
9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 727394-58-3), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: 9-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Property Insights of 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
The XLogP value of 3.7811 indicates that 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one. Following Lipinski's Rule of Five, 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one 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 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The CAS number of 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 727394-58-3.
What is the molecular formula of 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular formula of 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is C22H22N4O4S.
What is the molecular weight of 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular weight of 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 438.14 g/mol.
Where can I buy 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
You can request a quote for 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.