4-Cyano-2-(4-fluorophenyl)pyrimidine
TL;DR: 4-Cyano-2-(4-fluorophenyl)pyrimidine (CAS 76144-36-0) is a chemical compound with molecular formula C11H6FN3 and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)pyrimidine-4-carbonitrile
Also Known As: 4-Cyano-2-(4-fluorophenyl)pyrimidine, 2-(4-fluorophenyl)pyrimidine-4-carbonitrile, 4-cyano-2-(p-fluorophenyl)pyrimidine, 2-(4-Fluorophenyl)-4-pyrimidinecarbonitrile #
| Molecular Formula | C11H6FN3 |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.05458 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 76144-36-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC=CC(=N2)C#N)F |
| InChIKey | YRIIQXXAASLEIB-UHFFFAOYSA-N |
Product Overview
4-Cyano-2-(4-fluorophenyl)pyrimidine (CAS 76144-36-0), with molecular formula C11H6FN3 and molecular weight 199.05 g/mol. IUPAC: 2-(4-fluorophenyl)pyrimidine-4-carbonitrile.
Chemical Property Profile of 4-Cyano-2-(4-fluorophenyl)pyrimidine
Property Insights of 4-Cyano-2-(4-fluorophenyl)pyrimidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-2-(4-fluorophenyl)pyrimidine. With a topological polar surface area (TPSA) of 49.6 Ų, 4-Cyano-2-(4-fluorophenyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-2-(4-fluorophenyl)pyrimidine has 0 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-Cyano-2-(4-fluorophenyl)pyrimidine?
The CAS number of 4-Cyano-2-(4-fluorophenyl)pyrimidine is 76144-36-0.
What is the molecular formula of 4-Cyano-2-(4-fluorophenyl)pyrimidine?
The molecular formula of 4-Cyano-2-(4-fluorophenyl)pyrimidine is C11H6FN3.
What is the molecular weight of 4-Cyano-2-(4-fluorophenyl)pyrimidine?
The molecular weight of 4-Cyano-2-(4-fluorophenyl)pyrimidine is 199.05 g/mol.
Where can I buy 4-Cyano-2-(4-fluorophenyl)pyrimidine?
You can request a quote for 4-Cyano-2-(4-fluorophenyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-2-(4-fluorophenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-2-(4-fluorophenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.