![2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile structure](/static/products/850/850032-29-0.png)
2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
TL;DR: 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile (CAS 850032-29-0) is a chemical compound with molecular formula C14H13N5OS and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
Also Known As: 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile, F3411-6818, 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile, [(5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetonitrile, 2-((5-oxo-4-propyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetonitrile
| Molecular Formula | C14H13N5OS |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.06988 |
| Topological Polar Surface Area | 75.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.08408 |
| Heavy Atoms | 21 |
| Complexity | 905.24 |
Chemical Identifiers
| CAS Number | 850032-29-0 |
|---|---|
| SMILES | CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC#N |
Product Overview
2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile (CAS 850032-29-0), with molecular formula C14H13N5OS and molecular weight 299.08 g/mol. IUPAC: 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile.
Chemical Property Profile of 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
Property Insights of 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
The XLogP value of 2.06988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile. The TPSA of 75.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile. Following Lipinski's Rule of Five, 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile has 0 hydrogen bond donor(s) and 5 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 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile?
The CAS number of 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile is 850032-29-0.
What is the molecular formula of 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile?
The molecular formula of 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile is C14H13N5OS.
What is the molecular weight of 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile?
The molecular weight of 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile is 299.08 g/mol.
Where can I buy 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile?
You can request a quote for 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.