2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
TL;DR: 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CAS 346691-52-9) is a chemical compound with molecular formula C15H14ClNO2S and molecular weight 307.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: BAS 01927346, 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline, 2-(4-Chloro-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline, 2-[(4-chlorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline, 4-chloro-1-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)benzene
| Molecular Formula | C15H14ClNO2S |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.04337 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 346691-52-9 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | DSSHPQBPVDVEJM-UHFFFAOYSA-N |
Product Overview
2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CAS 346691-52-9), with molecular formula C15H14ClNO2S and molecular weight 307.04 g/mol. IUPAC: 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Property Insights of 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
The XLogP value of 3.2 indicates that 2-(4-chlorophenyl)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 45.8 Ų, 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)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-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is 346691-52-9.
What is the molecular formula of 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is C15H14ClNO2S.
What is the molecular weight of 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is 307.04 g/mol.
Where can I buy 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-(4-chlorophenyl)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-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.