4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester
TL;DR: 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester (CAS 310453-86-2) is a chemical compound with molecular formula C20H21NO4S and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 4-butoxybenzenesulfonate
Also Known As: BAS 00668057, 2-methyl-8-quinolyl 4-butoxybenzenesulfonate, 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester, (2-methylquinolin-8-yl) 4-butoxybenzenesulfonate, 2-methylquinolin-8-yl 4-butoxybenzene-1-sulfonate
| Molecular Formula | C20H21NO4S |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 4.48982 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.11914 |
| Heavy Atoms | 26 |
| Complexity | 997.9998 |
Chemical Identifiers
| CAS Number | 310453-86-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C |
Product Overview
4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester (CAS 310453-86-2), with molecular formula C20H21NO4S and molecular weight 371.12 g/mol. IUPAC: (2-methylquinolin-8-yl) 4-butoxybenzenesulfonate.
Chemical Property Profile of 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester
Property Insights of 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester
The XLogP value of 4.48982 indicates that 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester 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 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester. Following Lipinski's Rule of Five, 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester 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 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester?
The CAS number of 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester is 310453-86-2.
What is the molecular formula of 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester?
The molecular formula of 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester is C20H21NO4S.
What is the molecular weight of 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester?
The molecular weight of 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester is 371.12 g/mol.
Where can I buy 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester?
You can request a quote for 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-benzenesulfonic acid 2-methyl-quinolin-8-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.