2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate
TL;DR: 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate (CAS 491603-52-2) is a chemical compound with molecular formula C18H17NO3S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 3,4-dimethylbenzenesulfonate
Also Known As: BAS 00668016, 2-methylquinolin-8-yl 3,4-dimethylbenzenesulfonate, 2-methylquinolin-8-yl 3,4-dimethylbenzene-1-sulfonate, (2-methylquinolin-8-yl) 3,4-dimethylbenzenesulfonate, 2-methyl-8-quinolyl 3,4-dimethylbenzenesulfonate
| Molecular Formula | C18H17NO3S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 3.92776 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.09293 |
| Heavy Atoms | 23 |
| Complexity | 994.3194 |
Chemical Identifiers
| CAS Number | 491603-52-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C)C |
Product Overview
2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate (CAS 491603-52-2), with molecular formula C18H17NO3S and molecular weight 327.09 g/mol. IUPAC: (2-methylquinolin-8-yl) 3,4-dimethylbenzenesulfonate.
Chemical Property Profile of 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate
Property Insights of 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate
The XLogP value of 3.92776 indicates that 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate has 0 hydrogen bond donor(s) and 4 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 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate?
The CAS number of 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate is 491603-52-2.
What is the molecular formula of 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate?
The molecular formula of 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate is C18H17NO3S.
What is the molecular weight of 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate?
The molecular weight of 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate is 327.09 g/mol.
Where can I buy 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate?
You can request a quote for 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylquinolin-8-yl 3,4-dimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.