5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate
TL;DR: 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate (CAS 326885-79-4) is a chemical compound with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloroquinolin-8-yl) 3,4-dimethylbenzenesulfonate
Also Known As: 5-chloro-8-quinolyl 3,4-dimethylbenzenesulfonate, 5-chloro-8-quinolinyl 3,4-dimethylbenzenesulfonate, 5-chloroquinolin-8-yl 3,4-dimethylbenzenesulfonate, (5-chloroquinolin-8-yl) 3,4-dimethylbenzenesulfonate, AP-263/40778285
| Molecular Formula | C17H14ClNO3S |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 4.27274 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.0383 |
| Heavy Atoms | 23 |
| Complexity | 999.8912 |
Chemical Identifiers
| CAS Number | 326885-79-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C |
Product Overview
5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate (CAS 326885-79-4), with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol. IUPAC: (5-chloroquinolin-8-yl) 3,4-dimethylbenzenesulfonate.
Chemical Property Profile of 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate
Property Insights of 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate
The XLogP value of 4.27274 indicates that 5-Chloro-8-quinolyl 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, 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-8-quinolyl 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 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate?
The CAS number of 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate is 326885-79-4.
What is the molecular formula of 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate?
The molecular formula of 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate is C17H14ClNO3S.
What is the molecular weight of 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate?
The molecular weight of 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate is 347.04 g/mol.
Where can I buy 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate?
You can request a quote for 5-Chloro-8-quinolyl 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 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-8-quinolyl 3,4-dimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.