2-Methyl-8-quinolyl 2-methylbenzenesulfonate
TL;DR: 2-Methyl-8-quinolyl 2-methylbenzenesulfonate (CAS 428457-49-2) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 2-methylbenzenesulfonate
Also Known As: 2-methyl-8-quinolyl 2-methylbenzenesulfonate, 2-methyl-8-quinolinyl 2-methylbenzenesulfonate, AB00107066-01, (2-methylquinolin-8-yl) 2-methylbenzenesulfonate
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 3.61934 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 949.0302 |
Chemical Identifiers
| CAS Number | 428457-49-2 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=CC=C3C)C=C1 |
Product Overview
2-Methyl-8-quinolyl 2-methylbenzenesulfonate (CAS 428457-49-2), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: (2-methylquinolin-8-yl) 2-methylbenzenesulfonate.
Chemical Property Profile of 2-Methyl-8-quinolyl 2-methylbenzenesulfonate
Property Insights of 2-Methyl-8-quinolyl 2-methylbenzenesulfonate
The XLogP value of 3.61934 indicates that 2-Methyl-8-quinolyl 2-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-Methyl-8-quinolyl 2-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-8-quinolyl 2-methylbenzenesulfonate has 0 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-Methyl-8-quinolyl 2-methylbenzenesulfonate?
The CAS number of 2-Methyl-8-quinolyl 2-methylbenzenesulfonate is 428457-49-2.
What is the molecular formula of 2-Methyl-8-quinolyl 2-methylbenzenesulfonate?
The molecular formula of 2-Methyl-8-quinolyl 2-methylbenzenesulfonate is C17H15NO3S.
What is the molecular weight of 2-Methyl-8-quinolyl 2-methylbenzenesulfonate?
The molecular weight of 2-Methyl-8-quinolyl 2-methylbenzenesulfonate is 313.08 g/mol.
Where can I buy 2-Methyl-8-quinolyl 2-methylbenzenesulfonate?
You can request a quote for 2-Methyl-8-quinolyl 2-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-8-quinolyl 2-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-8-quinolyl 2-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.