5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate
TL;DR: 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate (CAS 446309-04-2) is a chemical compound with molecular formula C17H13Br2NO4S and molecular weight 484.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dibromoquinolin-8-yl) 2-methoxy-4-methylbenzenesulfonate
Also Known As: 5,7-dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate, 5,7-dibromoquinolin-8-yl 2-methoxy-4-methylbenzenesulfonate, F1058-0239, (5,7-dibromoquinolin-8-yl) 2-methoxy-4-methylbenzenesulfonate, 5,7-dibromoquinolin-8-yl 2-methoxy-4-methylbenzene-1-sulfonate
| Molecular Formula | C17H13Br2NO4S |
|---|---|
| Molecular Weight | 484.89 g/mol |
| LogP | 4.84452 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.8932 |
| Heavy Atoms | 25 |
| Complexity | 1067.676 |
Chemical Identifiers
| CAS Number | 446309-04-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br)OC |
Product Overview
5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate (CAS 446309-04-2), with molecular formula C17H13Br2NO4S and molecular weight 484.89 g/mol. IUPAC: (5,7-dibromoquinolin-8-yl) 2-methoxy-4-methylbenzenesulfonate.
Chemical Property Profile of 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate
Property Insights of 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate
The XLogP value of 4.84452 indicates that 5,7-Dibromo-8-quinolyl 2-methoxy-4-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 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 5,7-Dibromo-8-quinolyl 2-methoxy-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 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate?
The CAS number of 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate is 446309-04-2.
What is the molecular formula of 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate?
The molecular formula of 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate is C17H13Br2NO4S.
What is the molecular weight of 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate?
The molecular weight of 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate is 484.89 g/mol.
Where can I buy 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate?
You can request a quote for 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dibromo-8-quinolyl 2-methoxy-4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.