2-Chloro-4-(4-fluoro-phenyl)-pyrimidine
TL;DR: 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine (CAS 85979-59-5) is a chemical compound with molecular formula C10H6ClFN2 and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(4-fluorophenyl)pyrimidine
Also Known As: 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine, 2-Chloro-4-(4-fluorophenyl)pyrimidine, 3406AC, 4-(4-fluorophenyl)-2-chloropyrimidine, 4-(4-fluorophenyl)-2-chloro-pyrimidine
| Molecular Formula | C10H6ClFN2 |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.02036 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 85979-59-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=NC=C2)Cl)F |
| InChIKey | DGTAWQNEBOGYLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-(4-fluoro-phenyl)-pyrimidine (CAS 85979-59-5), with molecular formula C10H6ClFN2 and molecular weight 208.02 g/mol. IUPAC: 2-chloro-4-(4-fluorophenyl)pyrimidine.
Chemical Property Profile of 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine
Property Insights of 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine. With a topological polar surface area (TPSA) of 25.8 Ų, 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine has 0 hydrogen bond donor(s) and 3 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 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine?
The CAS number of 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine is 85979-59-5.
What is the molecular formula of 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine?
The molecular formula of 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine is C10H6ClFN2.
What is the molecular weight of 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine?
The molecular weight of 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine is 208.02 g/mol.
Where can I buy 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine?
You can request a quote for 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(4-fluoro-phenyl)-pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.