1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol
TL;DR: 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol (CAS 72812-48-7) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol
Also Known As: TMIQ, 2-methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol, 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol, NCI60_033467, 2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,6,7-triol
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 72812-48-7 |
|---|---|
| SMILES | CN1CC(C2=CC(=C(C=C2C1)O)O)O |
| InChIKey | PIJDIPDQQMXWEM-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol (CAS 72812-48-7), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 2-methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol.
Chemical Property Profile of 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol
Property Insights of 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol has 3 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 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol?
The CAS number of 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol is 72812-48-7.
What is the molecular formula of 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol?
The molecular formula of 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol is C10H13NO3.
What is the molecular weight of 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol?
The molecular weight of 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol is 195.09 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol?
You can request a quote for 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.