![2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone structure](/static/products/354/354154-52-2.png)
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone
TL;DR: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone (CAS 354154-52-2) is a chemical compound with molecular formula C28H28N2O2S and molecular weight 456.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone
Also Known As: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone, 2-(benzo[d]oxazol-2-ylthio)-1-(2,2,4-trimethyl-4-(m-tolyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone, 2-benzoxazol-2-ylthio-1-[2,2,4-trimethyl-4-(3-methylphenyl)(1,2,3,4-tetrahydro quinolyl)]ethan-1-one
| Molecular Formula | C28H28N2O2S |
|---|---|
| Molecular Weight | 456.19 g/mol |
| LogP | 6.74982 |
| Topological Polar Surface Area | 46.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.18716 |
| Heavy Atoms | 33 |
| Complexity | 1309.5022 |
Chemical Identifiers
| CAS Number | 354154-52-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2(CC(N(C3=CC=CC=C32)C(=O)CSC4=NC5=CC=CC=C5O4)(C)C)C |
Product Overview
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone (CAS 354154-52-2), with molecular formula C28H28N2O2S and molecular weight 456.19 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone.
Chemical Property Profile of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone
Property Insights of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone
The XLogP value of 6.74982 indicates that 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.34 Ų, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone?
The CAS number of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone is 354154-52-2.
What is the molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone?
The molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone is C28H28N2O2S.
What is the molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone?
The molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone is 456.19 g/mol.
Where can I buy 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone?
You can request a quote for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.