2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
TL;DR: 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CAS 765925-96-0) is a chemical compound with molecular formula C17H19NO3S and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: BAS 06731576, 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline, 2-(2-Methoxy-5-methyl-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline, 2-[(2-methoxy-5-methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline, 2-(2-Methoxy-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C17H19NO3S |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.10855 |
| Heavy Atoms | 22 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 765925-96-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC3=CC=CC=C3C2 |
| InChIKey | OMINQTDUUSFKGX-UHFFFAOYSA-N |
Product Overview
2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CAS 765925-96-0), with molecular formula C17H19NO3S and molecular weight 317.11 g/mol. IUPAC: 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Property Insights of 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline. With a topological polar surface area (TPSA) of 55.0 Ų, 2-(2-methoxy-5-methylphenyl)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-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline has 0 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 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is 765925-96-0.
What is the molecular formula of 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is C17H19NO3S.
What is the molecular weight of 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is 317.11 g/mol.
Where can I buy 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-(2-methoxy-5-methylphenyl)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-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.