1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one
TL;DR: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one (CAS 878428-80-9) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
Also Known As: BAS 12772224, F1821-0849, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one, 3-(benzenesulfonyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one, 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 2.4353 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 800.02625 |
Chemical Identifiers
| CAS Number | 878428-80-9 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CCS(=O)(=O)C3=CC=CC=C3 |
Product Overview
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one (CAS 878428-80-9), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one.
Chemical Property Profile of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one
Property Insights of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one
The XLogP value of 2.4353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one. With a topological polar surface area (TPSA) of 54.45 Ų, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one 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 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one?
The CAS number of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one is 878428-80-9.
What is the molecular formula of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one?
The molecular formula of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one is C18H19NO3S.
What is the molecular weight of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one?
The molecular weight of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one is 329.11 g/mol.
Where can I buy 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one?
You can request a quote for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylsulfonyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.