Pyrimidine, 5-chloro-2,4,6-trifluoro-
TL;DR: Pyrimidine, 5-chloro-2,4,6-trifluoro- (CAS 697-83-6) is a chemical compound with molecular formula C4ClF3N2 and molecular weight 167.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2,4,6-trifluoropyrimidine
Also Known As: 5-Chloro-2,4,6-trifluoropyrimidine, Isopseudocumenol, C4ClF3N2, Pyrimidine, 5-chloro-2,4,6-trifluoro-, 5-chlor-2,4,6-trifluorpyrimidin
| Molecular Formula | C4ClF3N2 |
|---|---|
| Molecular Weight | 167.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.97021 |
| Heavy Atoms | 10 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 697-83-6 |
|---|---|
| SMILES | C1(=C(N=C(N=C1F)F)F)Cl |
| InChIKey | GOYNRDSJTYLXBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 5-chloro-2,4,6-trifluoro- (CAS 697-83-6), with molecular formula C4ClF3N2 and molecular weight 167.97 g/mol. IUPAC: 5-chloro-2,4,6-trifluoropyrimidine.
Chemical Property Profile of Pyrimidine, 5-chloro-2,4,6-trifluoro-
Property Insights of Pyrimidine, 5-chloro-2,4,6-trifluoro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 5-chloro-2,4,6-trifluoro-. With a topological polar surface area (TPSA) of 25.8 Ų, Pyrimidine, 5-chloro-2,4,6-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 5-chloro-2,4,6-trifluoro- has 0 hydrogen bond donor(s) and 5 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 Pyrimidine, 5-chloro-2,4,6-trifluoro-?
The CAS number of Pyrimidine, 5-chloro-2,4,6-trifluoro- is 697-83-6.
What is the molecular formula of Pyrimidine, 5-chloro-2,4,6-trifluoro-?
The molecular formula of Pyrimidine, 5-chloro-2,4,6-trifluoro- is C4ClF3N2.
What is the molecular weight of Pyrimidine, 5-chloro-2,4,6-trifluoro-?
The molecular weight of Pyrimidine, 5-chloro-2,4,6-trifluoro- is 167.97 g/mol.
Where can I buy Pyrimidine, 5-chloro-2,4,6-trifluoro-?
You can request a quote for Pyrimidine, 5-chloro-2,4,6-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 5-chloro-2,4,6-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 5-chloro-2,4,6-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.