Quinolin-8-yl 4-methylbenzene-1-sulfonate
TL;DR: Quinolin-8-yl 4-methylbenzene-1-sulfonate (CAS 10522-42-6) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 4-methylbenzenesulfonate
Also Known As: 8-tosyloxyquinoline, 8-(Tosyloxy)quinoline, quinolin-8-yl 4-methylbenzene-1-sulfonate, 8-Quinolyl 4-toluenesulfonate, 8-quinolyl 4-methylbenzenesulfonate
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 10522-42-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3 |
| InChIKey | WJVMBQQDRQGWNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinolin-8-yl 4-methylbenzene-1-sulfonate (CAS 10522-42-6), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: quinolin-8-yl 4-methylbenzenesulfonate.
Chemical Property Profile of Quinolin-8-yl 4-methylbenzene-1-sulfonate
Property Insights of Quinolin-8-yl 4-methylbenzene-1-sulfonate
The XLogP value of 3.3 indicates that Quinolin-8-yl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolin-8-yl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, Quinolin-8-yl 4-methylbenzene-1-sulfonate 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-8-yl 4-methylbenzene-1-sulfonate?
The CAS number of Quinolin-8-yl 4-methylbenzene-1-sulfonate is 10522-42-6.
What is the molecular formula of Quinolin-8-yl 4-methylbenzene-1-sulfonate?
The molecular formula of Quinolin-8-yl 4-methylbenzene-1-sulfonate is C16H13NO3S.
What is the molecular weight of Quinolin-8-yl 4-methylbenzene-1-sulfonate?
The molecular weight of Quinolin-8-yl 4-methylbenzene-1-sulfonate is 299.06 g/mol.
Where can I buy Quinolin-8-yl 4-methylbenzene-1-sulfonate?
You can request a quote for Quinolin-8-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolin-8-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.