2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
TL;DR: 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CAS 496015-57-7) is a chemical compound with molecular formula C18H21NO3S and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: BAS 04999295, 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline, AP-906/41418017, 2-(2-methoxy-4,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline, 2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C18H21NO3S |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 3.05904 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.1242 |
| Heavy Atoms | 23 |
| Complexity | 843.34033 |
Chemical Identifiers
| CAS Number | 496015-57-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC3=CC=CC=C3C2)OC |
Product Overview
2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CAS 496015-57-7), with molecular formula C18H21NO3S and molecular weight 331.12 g/mol. IUPAC: 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Property Insights of 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
The XLogP value of 3.05904 indicates that 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline has 0 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 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is 496015-57-7.
What is the molecular formula of 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is C18H21NO3S.
What is the molecular weight of 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is 331.12 g/mol.
Where can I buy 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-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-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.