F0576-0249
TL;DR: F0576-0249 (CAS 536986-26-2) is a chemical compound with molecular formula C22H21FN4OS2 and molecular weight 440.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-6,6-dimethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: F0576-0249, 2-((2-fluorobenzyl)thio)-6,6-dimethyl-9-(thiophen-2-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-[(2-fluorophenyl)methylsulfanyl]-6,6-dimethyl-9-thiophen-2-yl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-[(2-fluorophenyl)methylsulfanyl]-6,6-dimethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-6,6-DIMETHYL-9-(THIOPHEN-2-YL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE
| Molecular Formula | C22H21FN4OS2 |
|---|---|
| Molecular Weight | 440.11 g/mol |
| LogP | 5.4291 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.11407 |
| Heavy Atoms | 30 |
| Complexity | 1149.8615 |
Chemical Identifiers
| CAS Number | 536986-26-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4F)N2)C5=CC=CS5)C(=O)C1)C |
Product Overview
F0576-0249 (CAS 536986-26-2), with molecular formula C22H21FN4OS2 and molecular weight 440.11 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-6,6-dimethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of F0576-0249
Property Insights of F0576-0249
The XLogP value of 5.4291 indicates that F0576-0249 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0576-0249 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0576-0249 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0576-0249?
The CAS number of F0576-0249 is 536986-26-2.
What is the molecular formula of F0576-0249?
The molecular formula of F0576-0249 is C22H21FN4OS2.
What is the molecular weight of F0576-0249?
The molecular weight of F0576-0249 is 440.11 g/mol.
Where can I buy F0576-0249?
You can request a quote for F0576-0249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0576-0249?
Yes, KEHONG BIO provides custom synthesis services for F0576-0249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.