2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline
TL;DR: 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline (CAS 952739-54-7) is a chemical compound with molecular formula C24H20N2O2S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline
Also Known As: IBR2, Zolazepam [INN:BAN], IBR2?, 2-(benzylsulfonyl)-1-(1h-indol-3-yl)-1,2-dihydroisoquinoline, 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline
| Molecular Formula | C24H20N2O2S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 5.0736 |
| Topological Polar Surface Area | 53.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.12454 |
| Heavy Atoms | 29 |
| Complexity | 1306.9904 |
Chemical Identifiers
| CAS Number | 952739-54-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)N2C=CC3=CC=CC=C3C2C4=CNC5=CC=CC=C54 |
Product Overview
2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline (CAS 952739-54-7), with molecular formula C24H20N2O2S and molecular weight 400.12 g/mol. IUPAC: 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline.
Chemical Property Profile of 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline
Property Insights of 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline
The XLogP value of 5.0736 indicates that 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.17 Ų, 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline?
The CAS number of 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline is 952739-54-7.
What is the molecular formula of 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline?
The molecular formula of 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline is C24H20N2O2S.
What is the molecular weight of 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline?
The molecular weight of 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline is 400.12 g/mol.
Where can I buy 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline?
You can request a quote for 2-benzylsulfonyl-1-(1H-indol-3-yl)-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-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.