7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate
TL;DR: 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate (CAS 70714-80-6) is a chemical compound with molecular formula C19H21ClNO3S+ and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-ethyl-4-methylquinolin-1-ium;4-methylbenzenesulfonic acid
Also Known As: 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate, 7-Chloro-1-ethyl-4-methylquinolinium 4-methylbenzenesulfonate, Quinolinium, 7-chloro-1-ethyl-4-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), 7-chloro-1-ethyl-4-methylquinolin-1-ium; 4-methylbenzenesulfonic acid, Quinolinium, 7-chloro-1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1)
| Molecular Formula | C19H21ClNO3S+ |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 4.35074 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.09308 |
| Heavy Atoms | 25 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 70714-80-6 |
|---|---|
| SMILES | CC[N+]1=C2C=C(C=CC2=C(C=C1)C)Cl.CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | SWDCPEYCWOLTDT-UHFFFAOYSA-N |
Product Overview
7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate (CAS 70714-80-6), with molecular formula C19H21ClNO3S+ and molecular weight 378.09 g/mol. IUPAC: 7-chloro-1-ethyl-4-methylquinolin-1-ium;4-methylbenzenesulfonic acid.
Chemical Property Profile of 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate
Property Insights of 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate
The XLogP value of 4.35074 indicates that 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate. Following Lipinski's Rule of Five, 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate has 1 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 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate?
The CAS number of 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate is 70714-80-6.
What is the molecular formula of 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate?
The molecular formula of 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate is C19H21ClNO3S+.
What is the molecular weight of 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate?
The molecular weight of 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate is 378.09 g/mol.
Where can I buy 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate?
You can request a quote for 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.