8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate
TL;DR: 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate (CAS 428456-29-5) 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.
quinolin-8-yl 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonate
Also Known As: 8-quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate, quinolin-8-yl 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonate
| Molecular Formula | C20H21NO4S |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 4.44292 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.11914 |
| Heavy Atoms | 26 |
| Complexity | 1053.3442 |
Chemical Identifiers
| CAS Number | 428456-29-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C)C)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3)OC |
Product Overview
8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate (CAS 428456-29-5), with molecular formula C20H21NO4S and molecular weight 371.12 g/mol. IUPAC: quinolin-8-yl 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonate.
Chemical Property Profile of 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate
Property Insights of 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate
The XLogP value of 4.44292 indicates that 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate 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 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate. Following Lipinski's Rule of Five, 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate 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 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate?
The CAS number of 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate is 428456-29-5.
What is the molecular formula of 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate?
The molecular formula of 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate is C20H21NO4S.
What is the molecular weight of 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate?
The molecular weight of 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate is 371.12 g/mol.
Where can I buy 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate?
You can request a quote for 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 8-Quinolyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.