1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
TL;DR: 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CAS 33798-64-0) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3,4-dihydro-2H-isoquinoline-6,7-diol
Also Known As: 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol, IBDAFHGSTAPEBA-UHFFFAOYSA-, 1,1-dimethyl-3,4-dihydro-2H-isoquinoline-6,7-diol, 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1,1-dimethyl-, 6,7-Dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 33798-64-0 |
|---|---|
| SMILES | CC1(C2=CC(=C(C=C2CCN1)O)O)C |
| InChIKey | IBDAFHGSTAPEBA-UHFFFAOYSA-N |
Product Overview
1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CAS 33798-64-0), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 1,1-dimethyl-3,4-dihydro-2H-isoquinoline-6,7-diol.
Chemical Property Profile of 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Property Insights of 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol. With a topological polar surface area (TPSA) of 52.5 Ų, 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol has 3 hydrogen bond donor(s) and 3 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 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The CAS number of 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol is 33798-64-0.
What is the molecular formula of 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The molecular formula of 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol is C11H15NO2.
What is the molecular weight of 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The molecular weight of 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol is 193.11 g/mol.
Where can I buy 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
You can request a quote for 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.