2-Phenyl-s-triazolo<5,1-a>isochinolin
TL;DR: 2-Phenyl-s-triazolo<5,1-a>isochinolin (CAS 39964-60-8) is a chemical compound with molecular formula C20H27N3 and molecular weight 309.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethyl-20-methyl-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
Also Known As: 2-Phenyl-s-triazolo<5,1-a>isochinolin, 2H,6H-Pyrido(1'',2'':3',4')imidazo(1',5':1,2)pyrido(3,4-b)indole, 1,3,4,8,9,14,14b,14c-octahydro-6-ethyl-14-methyl-, 6-Ethyl-14-methyl-1,3,4,8,9,14,14b,14c-octahydro-2H,6H-pyrido[1'',2'':3',4']imidazo[1',5':1,2]pyrido[3,4-b]indole, RefChem:267552
| Molecular Formula | C20H27N3 |
|---|---|
| Molecular Weight | 309.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 11.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.2205 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 39964-60-8 |
|---|---|
| SMILES | CCC1N2CCCCC2C3N1CCC4=C3N(C5=CC=CC=C45)C |
| InChIKey | IOBLAFXTZOAGNG-UHFFFAOYSA-N |
Product Overview
2-Phenyl-s-triazolo<5,1-a>isochinolin (CAS 39964-60-8), with molecular formula C20H27N3 and molecular weight 309.22 g/mol. IUPAC: 9-ethyl-20-methyl-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene.
Chemical Property Profile of 2-Phenyl-s-triazolo<5,1-a>isochinolin
Property Insights of 2-Phenyl-s-triazolo<5,1-a>isochinolin
The XLogP value of 3.7 indicates that 2-Phenyl-s-triazolo<5,1-a>isochinolin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 11.4 Ų, 2-Phenyl-s-triazolo<5,1-a>isochinolin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-s-triazolo<5,1-a>isochinolin 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-Phenyl-s-triazolo<5,1-a>isochinolin?
The CAS number of 2-Phenyl-s-triazolo<5,1-a>isochinolin is 39964-60-8.
What is the molecular formula of 2-Phenyl-s-triazolo<5,1-a>isochinolin?
The molecular formula of 2-Phenyl-s-triazolo<5,1-a>isochinolin is C20H27N3.
What is the molecular weight of 2-Phenyl-s-triazolo<5,1-a>isochinolin?
The molecular weight of 2-Phenyl-s-triazolo<5,1-a>isochinolin is 309.22 g/mol.
Where can I buy 2-Phenyl-s-triazolo<5,1-a>isochinolin?
You can request a quote for 2-Phenyl-s-triazolo<5,1-a>isochinolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-s-triazolo<5,1-a>isochinolin?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-s-triazolo<5,1-a>isochinolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.