![2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline structure](/static/products/1118/111875-10-6.webp)
2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline (CAS 111875-10-6) is a chemical compound with molecular formula C16H16ClNO2S and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline
Also Known As: Maybridge2_000648, 2-[(4-chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline, N-(4-chlorobenzylsulfonyl)-1,2,3,4-tetrahydroisoquinoline, 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline, 2-[(4-CHLOROPHENYL)METHANESULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
| Molecular Formula | C16H16ClNO2S |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.05902 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 111875-10-6 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)CC3=CC=C(C=C3)Cl |
| InChIKey | QBNGXPVQBUBVMA-UHFFFAOYSA-N |
Product Overview
2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline (CAS 111875-10-6), with molecular formula C16H16ClNO2S and molecular weight 321.06 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.2 indicates that 2-[(4-Chlorobenzyl)sulfonyl]-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 45.8 Ų, 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline 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-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is 111875-10-6.
What is the molecular formula of 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is C16H16ClNO2S.
What is the molecular weight of 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is 321.06 g/mol.
Where can I buy 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-[(4-Chlorobenzyl)sulfonyl]-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-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorobenzyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.