3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate
TL;DR: 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate (CAS 330593-41-4) is a chemical compound with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-quinoxalin-2-ylphenyl) 4-methylbenzenesulfonate
Also Known As: 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate, (3-quinoxalin-2-ylphenyl) 4-methylbenzenesulfonate, 3-(quinoxalin-2-yl)phenyl 4-methylbenzenesulfonate, 3-quinoxalin-2-ylphenyl 4-methylbenzenesulfonate, Toluene-4-sulfonic acid 3-quinoxalin-2-yl-phenyl ester
| Molecular Formula | C21H16N2O3S |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.08817 |
| Heavy Atoms | 27 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 330593-41-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3 |
| InChIKey | VBYAQBFANYEKNA-UHFFFAOYSA-N |
Product Overview
3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate (CAS 330593-41-4), with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol. IUPAC: (3-quinoxalin-2-ylphenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate
Property Insights of 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate
The XLogP value of 4.3 indicates that 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 5 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 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate?
The CAS number of 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate is 330593-41-4.
What is the molecular formula of 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate?
The molecular formula of 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate is C21H16N2O3S.
What is the molecular weight of 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate?
The molecular weight of 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate is 376.09 g/mol.
Where can I buy 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate?
You can request a quote for 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Quinoxalinyl)phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.