2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate
TL;DR: 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate (CAS 351224-10-7) 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.
(2,2,4-trimethyl-1H-quinolin-6-yl) phenylmethanesulfonate
Also Known As: BAS 01173527, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate, (2,2,4-trimethyl-1H-quinolin-6-yl) phenylmethanesulfonate, 2,2,4-trimethyl-6-1,2-dihydroquinolyl benzylsulfonate, Phenyl-methanesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 4.2028 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 884.0828 |
Chemical Identifiers
| CAS Number | 351224-10-7 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)CC3=CC=CC=C3)(C)C |
Product Overview
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate (CAS 351224-10-7), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) phenylmethanesulfonate.
Chemical Property Profile of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate
Property Insights of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate
The XLogP value of 4.2028 indicates that 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate 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 phenylmethanesulfonate 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 phenylmethanesulfonate 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 phenylmethanesulfonate?
The CAS number of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate is 351224-10-7.
What is the molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate?
The molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate is C19H21NO3S.
What is the molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate?
The molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate is 343.12 g/mol.
Where can I buy 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate?
You can request a quote for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate 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 phenylmethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenylmethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.