1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline (CAS 40312-26-3) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol
Also Known As: MA 4, 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline, KST-1B3980, 1,2-dimethyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol, 1,2-Dimethyl-1,2,3,4-tetrahydroisoquinoline-4,6,7-triol
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 40312-26-3 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2C(CN1C)O)O)O |
| InChIKey | GJZCADDNXVAAME-UHFFFAOYSA-N |
Product Overview
1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline (CAS 40312-26-3), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: 1,2-dimethyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol.
Chemical Property Profile of 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline 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-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline is 40312-26-3.
What is the molecular formula of 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline is C11H15NO3.
What is the molecular weight of 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline is 209.11 g/mol.
Where can I buy 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.