F0576-0093
TL;DR: F0576-0093 (CAS 536981-77-8) is a chemical compound with molecular formula C22H19FN4OS and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: F0576-0093, 2-((2-fluorobenzyl)thio)-9-phenyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-[(2-fluorophenyl)methylsulfanyl]-9-phenyl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-[(2-fluorophenyl)methylsulfanyl]-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-9-PHENYL-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE
| Molecular Formula | C22H19FN4OS |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 4.7315 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.12637 |
| Heavy Atoms | 29 |
| Complexity | 1109.0099 |
Chemical Identifiers
| CAS Number | 536981-77-8 |
|---|---|
| SMILES | C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4F)N2)C5=CC=CC=C5)C(=O)C1 |
Product Overview
F0576-0093 (CAS 536981-77-8), with molecular formula C22H19FN4OS and molecular weight 406.13 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of F0576-0093
Property Insights of F0576-0093
The XLogP value of 4.7315 indicates that F0576-0093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0576-0093 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0576-0093 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 F0576-0093?
The CAS number of F0576-0093 is 536981-77-8.
What is the molecular formula of F0576-0093?
The molecular formula of F0576-0093 is C22H19FN4OS.
What is the molecular weight of F0576-0093?
The molecular weight of F0576-0093 is 406.13 g/mol.
Where can I buy F0576-0093?
You can request a quote for F0576-0093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0576-0093?
Yes, KEHONG BIO provides custom synthesis services for F0576-0093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.