8-Quinolinyl 4-chloro-2-methylbenzenesulfonate
TL;DR: 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate (CAS 325811-99-2) is a chemical compound with molecular formula C16H12ClNO3S and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 4-chloro-2-methylbenzenesulfonate
Also Known As: 8-quinolinyl 4-chloro-2-methylbenzenesulfonate, quinolin-8-yl 4-chloro-2-methylbenzenesulfonate, BAS 01178152, 8-quinolyl 4-chloro-2-methylbenzenesulfonate, AP-263/13383085
| Molecular Formula | C16H12ClNO3S |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 3.96432 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.02264 |
| Heavy Atoms | 22 |
| Complexity | 949.2671 |
Chemical Identifiers
| CAS Number | 325811-99-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3 |
Product Overview
8-Quinolinyl 4-chloro-2-methylbenzenesulfonate (CAS 325811-99-2), with molecular formula C16H12ClNO3S and molecular weight 333.02 g/mol. IUPAC: quinolin-8-yl 4-chloro-2-methylbenzenesulfonate.
Chemical Property Profile of 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate
Property Insights of 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate
The XLogP value of 3.96432 indicates that 8-Quinolinyl 4-chloro-2-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, 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Quinolinyl 4-chloro-2-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 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate?
The CAS number of 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate is 325811-99-2.
What is the molecular formula of 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate?
The molecular formula of 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate is C16H12ClNO3S.
What is the molecular weight of 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate?
The molecular weight of 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate is 333.02 g/mol.
Where can I buy 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate?
You can request a quote for 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 8-Quinolinyl 4-chloro-2-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.