![N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide structure](/static/products/852/852398-40-4.png)
N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide
TL;DR: N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide (CAS 852398-40-4) is a chemical compound with molecular formula C22H24N6O2S and molecular weight 436.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanocyclohexyl)-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
Also Known As: N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide, N-(1-cyanocyclohexyl)-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
| Molecular Formula | C22H24N6O2S |
|---|---|
| Molecular Weight | 436.17 g/mol |
| LogP | 3.05348 |
| Topological Polar Surface Area | 105.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.16815 |
| Heavy Atoms | 31 |
| Complexity | 1248.5831 |
Chemical Identifiers
| CAS Number | 852398-40-4 |
|---|---|
| SMILES | CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C |
Product Overview
N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide (CAS 852398-40-4), with molecular formula C22H24N6O2S and molecular weight 436.17 g/mol. IUPAC: N-(1-cyanocyclohexyl)-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide.
Chemical Property Profile of N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide
Property Insights of N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide
The XLogP value of 3.05348 indicates that N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.08 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide. Following Lipinski's Rule of Five, N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide 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-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide?
The CAS number of N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide is 852398-40-4.
What is the molecular formula of N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide?
The molecular formula of N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide is C22H24N6O2S.
What is the molecular weight of N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide?
The molecular weight of N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide is 436.17 g/mol.
Where can I buy N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide?
You can request a quote for N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyanocyclohexyl)-2-{[5-oxo-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.