2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 669749-08-0) is a chemical compound with molecular formula C17H18ClNO2S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(4-chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline, 2-[(4-chloro-2,5-dimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline, 2-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline, 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline, 4-chloro-2,5-dimethyl-1-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)benzene
| Molecular Formula | C17H18ClNO2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 3.70384 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.07468 |
| Heavy Atoms | 22 |
| Complexity | 830.5477 |
Chemical Identifiers
| CAS Number | 669749-08-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 669749-08-0), with molecular formula C17H18ClNO2S and molecular weight 335.07 g/mol. IUPAC: 2-(4-chloro-2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.70384 indicates that 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 2 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-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is 669749-08-0.
What is the molecular formula of 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is C17H18ClNO2S.
What is the molecular weight of 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline is 335.07 g/mol.
Where can I buy 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-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 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.