4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
TL;DR: 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile (CAS 131364-75-5) is a chemical compound with molecular formula C11H6FN3OS and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: TQR958, 4-(4-fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile, 4-(4-fluorophenyl)-6-hydroxy-2-mercaptopyrimidine-5-carbonitrile, A3816/0162012, 4-(4-Fluoro-phenyl)-6-hydroxy-2-mercapto-pyrimidine-5-carbonitrile
| Molecular Formula | C11H6FN3OS |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.02156 |
| Heavy Atoms | 17 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 131364-75-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)NC(=S)N2)C#N)F |
| InChIKey | YRUUGEPPEPQISW-UHFFFAOYSA-N |
Product Overview
4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile (CAS 131364-75-5), with molecular formula C11H6FN3OS and molecular weight 247.02 g/mol. IUPAC: 6-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
Property Insights of 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile has 2 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 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
The CAS number of 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile is 131364-75-5.
What is the molecular formula of 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
The molecular formula of 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile is C11H6FN3OS.
What is the molecular weight of 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
The molecular weight of 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile is 247.02 g/mol.
Where can I buy 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
You can request a quote for 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.