![9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one structure](/static/products/5369/536981-91-6.webp)
9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
TL;DR: 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 536981-91-6) is a chemical compound with molecular formula C22H18ClFN4OS and molecular weight 440.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, F0576-0097, 9-(4-chlorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 9-(4-chlorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 9-(4-CHLOROPHENYL)-2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE
| Molecular Formula | C22H18ClFN4OS |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 5.3849 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0874 |
| Heavy Atoms | 30 |
| Complexity | 1158.1992 |
Chemical Identifiers
| CAS Number | 536981-91-6 |
|---|---|
| SMILES | C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4F)N2)C5=CC=C(C=C5)Cl)C(=O)C1 |
Product Overview
9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 536981-91-6), with molecular formula C22H18ClFN4OS and molecular weight 440.09 g/mol. IUPAC: 9-(4-chlorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Property Insights of 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
The XLogP value of 5.3849 indicates that 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The CAS number of 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 536981-91-6.
What is the molecular formula of 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular formula of 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is C22H18ClFN4OS.
What is the molecular weight of 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular weight of 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 440.09 g/mol.
Where can I buy 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
You can request a quote for 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.