8-Quinolyl 4-methoxy-3-methylbenzenesulfonate
TL;DR: 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate (CAS 457961-45-4) is a chemical compound with molecular formula C17H15NO4S and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 4-methoxy-3-methylbenzenesulfonate
Also Known As: 8-quinolyl 4-methoxy-3-methylbenzenesulfonate, BAS 02106744, quinolin-8-yl 4-methoxy-3-methylbenzenesulfonate, 8-quinolinyl 4-methoxy-3-methylbenzenesulfonate, 4-Methoxy-3-methyl-benzenesulfonic acid quinolin-8-yl ester
| Molecular Formula | C17H15NO4S |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 3.31952 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.07217 |
| Heavy Atoms | 23 |
| Complexity | 961.99426 |
Chemical Identifiers
| CAS Number | 457961-45-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3)OC |
Product Overview
8-Quinolyl 4-methoxy-3-methylbenzenesulfonate (CAS 457961-45-4), with molecular formula C17H15NO4S and molecular weight 329.07 g/mol. IUPAC: quinolin-8-yl 4-methoxy-3-methylbenzenesulfonate.
Chemical Property Profile of 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate
Property Insights of 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate
The XLogP value of 3.31952 indicates that 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate. Following Lipinski's Rule of Five, 8-Quinolyl 4-methoxy-3-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 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate?
The CAS number of 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate is 457961-45-4.
What is the molecular formula of 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate?
The molecular formula of 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate is C17H15NO4S.
What is the molecular weight of 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate?
The molecular weight of 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate is 329.07 g/mol.
Where can I buy 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate?
You can request a quote for 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 8-Quinolyl 4-methoxy-3-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.