Quinolin-2-ylmethyl 4-methylbenzenesulfonate
TL;DR: Quinolin-2-ylmethyl 4-methylbenzenesulfonate (CAS 19820-77-0) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-2-ylmethyl 4-methylbenzenesulfonate
Also Known As: quinolin-2-ylmethyl 4-methylbenzenesulfonate, (quinolin-2-yl)methyl 4-methylbenzene-1-sulfonate, 2-quinolylmethyl 4-methylbenzenesulfonate, 2-Quinolinemethanol, 2-(4-methylbenzenesulfonate), Quinolin-2-ylmethyl4-methylbenzenesulfonate
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 3.44872 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 902.5952 |
Chemical Identifiers
| CAS Number | 19820-77-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=CC=CC=C3C=C2 |
Product Overview
Quinolin-2-ylmethyl 4-methylbenzenesulfonate (CAS 19820-77-0), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: quinolin-2-ylmethyl 4-methylbenzenesulfonate.
Chemical Property Profile of Quinolin-2-ylmethyl 4-methylbenzenesulfonate
Property Insights of Quinolin-2-ylmethyl 4-methylbenzenesulfonate
The XLogP value of 3.44872 indicates that Quinolin-2-ylmethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, Quinolin-2-ylmethyl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolin-2-ylmethyl 4-methylbenzenesulfonate 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 Quinolin-2-ylmethyl 4-methylbenzenesulfonate?
The CAS number of Quinolin-2-ylmethyl 4-methylbenzenesulfonate is 19820-77-0.
What is the molecular formula of Quinolin-2-ylmethyl 4-methylbenzenesulfonate?
The molecular formula of Quinolin-2-ylmethyl 4-methylbenzenesulfonate is C17H15NO3S.
What is the molecular weight of Quinolin-2-ylmethyl 4-methylbenzenesulfonate?
The molecular weight of Quinolin-2-ylmethyl 4-methylbenzenesulfonate is 313.08 g/mol.
Where can I buy Quinolin-2-ylmethyl 4-methylbenzenesulfonate?
You can request a quote for Quinolin-2-ylmethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolin-2-ylmethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-2-ylmethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.