6-Methoxy-4-(p-tolylmercapto)quinaldine
TL;DR: 6-Methoxy-4-(p-tolylmercapto)quinaldine (CAS 5431-56-1) is a chemical compound with molecular formula C18H18ClNOS and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2-methyl-4-(4-methylphenyl)sulfanylquinoline;hydrochloride
Also Known As: 6-Methoxy-4-(p-tolylmercapto)quinaldine, 6-methoxy-2-methyl-4-(p-tolylsulfanyl)quinoline, 6-methoxy-2-methyl-4-(4-methylphenyl)sulfanyl-quinoline, 6-methoxy-2-methyl-4-(4-methylphenyl)sulfanylquinoline,hydro, 6-methoxy-2-methyl-4-(4-methylphenyl)sulfanylquinoline hydrochloride
| Molecular Formula | C18H18ClNOS |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 5.43324 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.07977 |
| Heavy Atoms | 22 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 5431-56-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C3C=C(C=CC3=NC(=C2)C)OC.Cl |
| InChIKey | VQEIKFLMTDCHQB-UHFFFAOYSA-N |
Product Overview
6-Methoxy-4-(p-tolylmercapto)quinaldine (CAS 5431-56-1), with molecular formula C18H18ClNOS and molecular weight 331.08 g/mol. IUPAC: 6-methoxy-2-methyl-4-(4-methylphenyl)sulfanylquinoline;hydrochloride.
Chemical Property Profile of 6-Methoxy-4-(p-tolylmercapto)quinaldine
Property Insights of 6-Methoxy-4-(p-tolylmercapto)quinaldine
The XLogP value of 5.43324 indicates that 6-Methoxy-4-(p-tolylmercapto)quinaldine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 6-Methoxy-4-(p-tolylmercapto)quinaldine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxy-4-(p-tolylmercapto)quinaldine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methoxy-4-(p-tolylmercapto)quinaldine?
The CAS number of 6-Methoxy-4-(p-tolylmercapto)quinaldine is 5431-56-1.
What is the molecular formula of 6-Methoxy-4-(p-tolylmercapto)quinaldine?
The molecular formula of 6-Methoxy-4-(p-tolylmercapto)quinaldine is C18H18ClNOS.
What is the molecular weight of 6-Methoxy-4-(p-tolylmercapto)quinaldine?
The molecular weight of 6-Methoxy-4-(p-tolylmercapto)quinaldine is 331.08 g/mol.
Where can I buy 6-Methoxy-4-(p-tolylmercapto)quinaldine?
You can request a quote for 6-Methoxy-4-(p-tolylmercapto)quinaldine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-4-(p-tolylmercapto)quinaldine?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-4-(p-tolylmercapto)quinaldine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.