1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-
TL;DR: 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)- (CAS 40281-54-7) is a chemical compound with molecular formula C11H8F3N3 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: 3-Trifluoromethyl-5,6-dihydro-s-triazolo(3,4-a)isoquinoline, 5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo(3,4-a)isoquinoline, 3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline, 3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline, 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-
| Molecular Formula | C11H8F3N3 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.06703 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 40281-54-7 |
|---|---|
| SMILES | C1CN2C(=NN=C2C(F)(F)F)C3=CC=CC=C31 |
| InChIKey | CKURCLLORFIUIH-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)- (CAS 40281-54-7), with molecular formula C11H8F3N3 and molecular weight 239.07 g/mol. IUPAC: 3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-
Property Insights of 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 30.7 Ų, 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)- 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 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-?
The CAS number of 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)- is 40281-54-7.
What is the molecular formula of 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-?
The molecular formula of 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)- is C11H8F3N3.
What is the molecular weight of 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-?
The molecular weight of 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)- is 239.07 g/mol.
Where can I buy 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-?
You can request a quote for 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.