6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one
TL;DR: 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one (CAS 897614-70-9) is a chemical compound with molecular formula C13H9FN4OS and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one
Also Known As: SDCCGSBI-0659622.P001, 6-(4-fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one, 6-(4-fluorophenyl)-4-mercapto-1-methylpteridin-2(1H)-one, F2105-0003, 6-(4-fluorophenyl)-1-methyl-4-sulfanyl-1,2-dihydropteridin-2-one
| Molecular Formula | C13H9FN4OS |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 2.19219 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.0481 |
| Heavy Atoms | 20 |
| Complexity | 914.28784 |
Chemical Identifiers
| CAS Number | 897614-70-9 |
|---|---|
| SMILES | CN1C2=NC=C(N=C2C(=S)NC1=O)C3=CC=C(C=C3)F |
Product Overview
6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one (CAS 897614-70-9), with molecular formula C13H9FN4OS and molecular weight 288.05 g/mol. IUPAC: 6-(4-fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one.
Chemical Property Profile of 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one
Property Insights of 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one
The XLogP value of 2.19219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one. Following Lipinski's Rule of Five, 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one has 1 hydrogen bond donor(s) and 4 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 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one?
The CAS number of 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one is 897614-70-9.
What is the molecular formula of 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one?
The molecular formula of 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one is C13H9FN4OS.
What is the molecular weight of 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one?
The molecular weight of 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one is 288.05 g/mol.
Where can I buy 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one?
You can request a quote for 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Fluorophenyl)-1-methyl-4-sulfanylidenepteridin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.