2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate
TL;DR: 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate (CAS 351224-08-3) 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.
(2,2,4-trimethyl-1H-quinolin-6-yl) benzenesulfonate
Also Known As: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate, (2,2,4-trimethyl-1H-quinolin-6-yl) benzenesulfonate
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 4.0617 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 868.39465 |
Chemical Identifiers
| CAS Number | 351224-08-3 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)(C)C |
Product Overview
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate (CAS 351224-08-3), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) benzenesulfonate.
Chemical Property Profile of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate
Property Insights of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate
The XLogP value of 4.0617 indicates that 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate has 1 hydrogen bond donor(s) and 4 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 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate?
The CAS number of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate is 351224-08-3.
What is the molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate?
The molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate is C18H19NO3S.
What is the molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate?
The molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate is 329.11 g/mol.
Where can I buy 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate?
You can request a quote for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.