![2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide structure](/static/products/4426/442668-83-9.webp)
2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
TL;DR: 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide (CAS 442668-83-9) is a chemical compound with molecular formula C27H27N7O2S2 and molecular weight 545.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)acetamide
Also Known As: 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide, A2838/0119792, 2-((4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide, 2-(4-cyclohexyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(5-oxo-7-(2-thienyl)( 6,7,8-trihydroquinazolin-2-yl))acetamide, 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)acetamide
| Molecular Formula | C27H27N7O2S2 |
|---|---|
| Molecular Weight | 545.17 g/mol |
| LogP | 5.3403 |
| Topological Polar Surface Area | 115.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.16675 |
| Heavy Atoms | 38 |
| Complexity | 1433.1494 |
Chemical Identifiers
| CAS Number | 442668-83-9 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=NC=C4C(=N3)CC(CC4=O)C5=CC=CS5)C6=CN=CC=C6 |
Product Overview
2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide (CAS 442668-83-9), with molecular formula C27H27N7O2S2 and molecular weight 545.17 g/mol. IUPAC: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)acetamide.
Chemical Property Profile of 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
Property Insights of 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
The XLogP value of 5.3403 indicates that 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide. Following Lipinski's Rule of Five, 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide?
The CAS number of 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide is 442668-83-9.
What is the molecular formula of 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide?
The molecular formula of 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide is C27H27N7O2S2.
What is the molecular weight of 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide?
The molecular weight of 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide is 545.17 g/mol.
Where can I buy 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide?
You can request a quote for 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.