![N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide structure](/static/products/852/852405-37-9.png)
N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
TL;DR: N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide (CAS 852405-37-9) is a chemical compound with molecular formula C20H20N6O2S and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyano-1-cyclopropylethyl)-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Also Known As: N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide, N-(1-cyano-1-cyclopropylethyl)-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
| Molecular Formula | C20H20N6O2S |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 2.13078 |
| Topological Polar Surface Area | 105.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.13684 |
| Heavy Atoms | 29 |
| Complexity | 1219.3905 |
Chemical Identifiers
| CAS Number | 852405-37-9 |
|---|---|
| SMILES | CC(C#N)(C1CC1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C |
Product Overview
N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide (CAS 852405-37-9), with molecular formula C20H20N6O2S and molecular weight 408.14 g/mol. IUPAC: N-(1-cyano-1-cyclopropylethyl)-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Property Insights of N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
The XLogP value of 2.13078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide. The TPSA of 105.08 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 6 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 N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
The CAS number of N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide is 852405-37-9.
What is the molecular formula of N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
The molecular formula of N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide is C20H20N6O2S.
What is the molecular weight of N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
The molecular weight of N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide is 408.14 g/mol.
Where can I buy N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
You can request a quote for N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1-cyclopropylethyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.