2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
TL;DR: 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CAS 328022-71-5) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: 2-METHANESULFONYL-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLINE, BAS 01923094, J1.566.454A, 6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline, 2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 328022-71-5 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C)OC |
| InChIKey | ZYLRGOJVBAJLFQ-UHFFFAOYSA-N |
Product Overview
2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CAS 328022-71-5), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Property Insights of 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline. Following Lipinski's Rule of Five, 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline has 0 hydrogen bond donor(s) and 5 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 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is 328022-71-5.
What is the molecular formula of 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is C12H17NO4S.
What is the molecular weight of 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is 271.09 g/mol.
Where can I buy 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methanesulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.