2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate
TL;DR: 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate (CAS 325813-46-5) is a chemical compound with molecular formula C16H10Cl3NO3S and molecular weight 400.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 2,3,4-trichlorobenzenesulfonate
Also Known As: BAS 01178348, 2-methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate, 2-methylquinolin-8-yl 2,3,4-trichlorobenzenesulfonate, (2-methylquinolin-8-yl) 2,3,4-trichlorobenzenesulfonate, 2-methylquinolin-8-yl 2,3,4-trichlorobenzene-1-sulfonate
| Molecular Formula | C16H10Cl3NO3S |
|---|---|
| Molecular Weight | 400.94 g/mol |
| LogP | 5.27112 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.9447 |
| Heavy Atoms | 24 |
| Complexity | 1051.8622 |
Chemical Identifiers
| CAS Number | 325813-46-5 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=C(C(=C(C=C3)Cl)Cl)Cl)C=C1 |
Product Overview
2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate (CAS 325813-46-5), with molecular formula C16H10Cl3NO3S and molecular weight 400.94 g/mol. IUPAC: (2-methylquinolin-8-yl) 2,3,4-trichlorobenzenesulfonate.
Chemical Property Profile of 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate
Property Insights of 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate
The XLogP value of 5.27112 indicates that 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate 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 2,3,4-trichlorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate?
The CAS number of 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate is 325813-46-5.
What is the molecular formula of 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate?
The molecular formula of 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate is C16H10Cl3NO3S.
What is the molecular weight of 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate?
The molecular weight of 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate is 400.94 g/mol.
Where can I buy 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate?
You can request a quote for 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate 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 2,3,4-trichlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-8-quinolyl 2,3,4-trichlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.