F0576-0100
TL;DR: F0576-0100 (CAS 536982-00-0) is a chemical compound with molecular formula C22H18F2N4OS and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: F0576-0100, 2-((2-fluorobenzyl)thio)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(4-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 9-(4-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 9-(4-FLUOROPHENYL)-2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE
| Molecular Formula | C22H18F2N4OS |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 4.8706 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.11694 |
| Heavy Atoms | 30 |
| Complexity | 1156.1992 |
Chemical Identifiers
| CAS Number | 536982-00-0 |
|---|---|
| SMILES | C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4F)N2)C5=CC=C(C=C5)F)C(=O)C1 |
Product Overview
F0576-0100 (CAS 536982-00-0), with molecular formula C22H18F2N4OS and molecular weight 424.12 g/mol. IUPAC: 9-(4-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of F0576-0100
Property Insights of F0576-0100
The XLogP value of 4.8706 indicates that F0576-0100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0576-0100 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0576-0100 has 1 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 F0576-0100?
The CAS number of F0576-0100 is 536982-00-0.
What is the molecular formula of F0576-0100?
The molecular formula of F0576-0100 is C22H18F2N4OS.
What is the molecular weight of F0576-0100?
The molecular weight of F0576-0100 is 424.12 g/mol.
Where can I buy F0576-0100?
You can request a quote for F0576-0100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0576-0100?
Yes, KEHONG BIO provides custom synthesis services for F0576-0100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.