4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol
TL;DR: 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol (CAS 80830-10-0) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinolin-2-yl)benzene-1,2-diol
Also Known As: 1,2-Benzenediol,4-(5,6-dihydro triazolo -, 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol, 1,2-Benzenediol, 4-(5,6-dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-, (4E)-4-(5,6-dihydro-3H-[1,2,4]triazolo[5,1-a]isoquinolin-2-ylidene)-2-hydroxycyclohexa-2,5-dien-1-one, (4E)-4-(5,6-Dihydro[1,2,4]triazolo[5,1-a]isoquinolin-2(3H)-ylidene)-2-hydroxy-2,5-cyclohexadien-1-one
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 80830-10-0 |
|---|---|
| SMILES | C1CN2C(=NC(=N2)C3=CC(=C(C=C3)O)O)C4=CC=CC=C41 |
| InChIKey | KLOKYKDAWPWAJG-UHFFFAOYSA-N |
Product Overview
4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol (CAS 80830-10-0), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: 4-(5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinolin-2-yl)benzene-1,2-diol.
Chemical Property Profile of 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol
Property Insights of 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol. Following Lipinski's Rule of Five, 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol has 2 hydrogen bond donor(s) and 4 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 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol?
The CAS number of 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol is 80830-10-0.
What is the molecular formula of 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol?
The molecular formula of 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol is C16H13N3O2.
What is the molecular weight of 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol?
The molecular weight of 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol is 279.10 g/mol.
Where can I buy 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol?
You can request a quote for 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,6-Dihydro(1,2,4)triazolo(5,1-a)isoquinolin-2-yl)-1,2-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.