F0576-0113
TL;DR: F0576-0113 (CAS 536982-38-4) is a chemical compound with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: F0576-0113, 2-((2-fluorobenzyl)thio)-9-(pyridin-3-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-[(2-fluorobenzyl)thio]-9-pyridin-3-yl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-[(2-fluorophenyl)methylsulfanyl]-9-pyridin-3-yl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-[(2-fluorophenyl)methylsulfanyl]-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C21H18FN5OS |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 4.1265 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.1216 |
| Heavy Atoms | 29 |
| Complexity | 1111.269 |
Chemical Identifiers
| CAS Number | 536982-38-4 |
|---|---|
| SMILES | C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4F)N2)C5=CN=CC=C5)C(=O)C1 |
Product Overview
F0576-0113 (CAS 536982-38-4), with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of F0576-0113
Property Insights of F0576-0113
The XLogP value of 4.1265 indicates that F0576-0113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for F0576-0113. Following Lipinski's Rule of Five, F0576-0113 has 1 hydrogen bond donor(s) and 6 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 F0576-0113?
The CAS number of F0576-0113 is 536982-38-4.
What is the molecular formula of F0576-0113?
The molecular formula of F0576-0113 is C21H18FN5OS.
What is the molecular weight of F0576-0113?
The molecular weight of F0576-0113 is 407.12 g/mol.
Where can I buy F0576-0113?
You can request a quote for F0576-0113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0576-0113?
Yes, KEHONG BIO provides custom synthesis services for F0576-0113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.