2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
TL;DR: 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline (CAS 66535-86-2) is a chemical compound with molecular formula C16H10ClN3 and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-[1,2,4]triazolo[5,1-a]isoquinoline
Also Known As: Lotrifen, Canocenta, Privaprol, Lotrifene, Lotrifeno
| Molecular Formula | C16H10ClN3 |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.05634 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 66535-86-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN3C2=NC(=N3)C4=CC=C(C=C4)Cl |
| InChIKey | DGWUVKLBXCWNTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline (CAS 66535-86-2), with molecular formula C16H10ClN3 and molecular weight 279.06 g/mol. IUPAC: 2-(4-chlorophenyl)-[1,2,4]triazolo[5,1-a]isoquinoline.
Chemical Property Profile of 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
Property Insights of 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
The XLogP value of 4.3 indicates that 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.2 Ų, 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline has 0 hydrogen bond donor(s) and 2 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-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline?
The CAS number of 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline is 66535-86-2.
What is the molecular formula of 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline?
The molecular formula of 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline is C16H10ClN3.
What is the molecular weight of 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline?
The molecular weight of 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline is 279.06 g/mol.
Where can I buy 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline?
You can request a quote for 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.