3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one
TL;DR: 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one (CAS 827620-41-7) is a chemical compound with molecular formula C19H21NO3S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
Also Known As: VU0506978-1, 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one, 3-benzylsulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one, 3-phenylmethanesulfonyl-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one, F2983-0190
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 2.9709 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 815.5154 |
Chemical Identifiers
| CAS Number | 827620-41-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CCS(=O)(=O)CC3=CC=CC=C3 |
Product Overview
3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one (CAS 827620-41-7), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: 3-benzylsulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
Chemical Property Profile of 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one
Property Insights of 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one
The XLogP value of 2.9709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one. With a topological polar surface area (TPSA) of 54.45 Ų, 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)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 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one?
The CAS number of 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one is 827620-41-7.
What is the molecular formula of 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one?
The molecular formula of 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one is C19H21NO3S.
What is the molecular weight of 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one?
The molecular weight of 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one is 343.12 g/mol.
Where can I buy 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one?
You can request a quote for 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)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 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.