methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
TL;DR: methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate (CAS 885459-95-0) is a chemical compound with molecular formula C15H21NO6S and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate
Also Known As: methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate, methyl 2-(6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate, methyl [6,7-dimethoxy-2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate, Methyl 2-(6,7-dimethoxy-2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate, methyl2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
| Molecular Formula | C15H21NO6S |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 1.1257 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.10895 |
| Heavy Atoms | 23 |
| Complexity | 700.1638 |
Chemical Identifiers
| CAS Number | 885459-95-0 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C)CC(=O)OC)OC |
Product Overview
methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate (CAS 885459-95-0), with molecular formula C15H21NO6S and molecular weight 343.11 g/mol. IUPAC: methyl 2-(6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate.
Chemical Property Profile of methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Property Insights of methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
The XLogP value of 1.1257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate has 0 hydrogen bond donor(s) and 6 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 methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate?
The CAS number of methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate is 885459-95-0.
What is the molecular formula of methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate?
The molecular formula of methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate is C15H21NO6S.
What is the molecular weight of methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate?
The molecular weight of methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate is 343.11 g/mol.
Where can I buy methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate?
You can request a quote for methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.