![1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one structure](/static/products/850/850349-99-4.png)
1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
TL;DR: 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 850349-99-4) is a chemical compound with molecular formula C27H23N5O2S and molecular weight 481.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Also Known As: 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-benzyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
| Molecular Formula | C27H23N5O2S |
|---|---|
| Molecular Weight | 481.16 g/mol |
| LogP | 4.164 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.15726 |
| Heavy Atoms | 35 |
| Complexity | 1609.0972 |
Chemical Identifiers
| CAS Number | 850349-99-4 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=O)N4CC6=CC=CC=C6 |
Product Overview
1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 850349-99-4), with molecular formula C27H23N5O2S and molecular weight 481.16 g/mol. IUPAC: 4-benzyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Chemical Property Profile of 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Property Insights of 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
The XLogP value of 4.164 indicates that 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one. Following Lipinski's Rule of Five, 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one 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 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The CAS number of 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 850349-99-4.
What is the molecular formula of 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular formula of 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is C27H23N5O2S.
What is the molecular weight of 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular weight of 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 481.16 g/mol.
Where can I buy 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
You can request a quote for 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.