Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester
TL;DR: Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester (CAS 63413-57-0) is a chemical compound with molecular formula C17H13ClINO3S and molecular weight 472.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-7-iodoquinolin-8-yl) 2,3-dimethylbenzenesulfonate
Also Known As: Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester, Dimethylbenzenesulfonic acid 5-chloro-7-iodo-8-quinolinyl ester, (5-chloro-7-iodoquinolin-8-yl) 2,3-dimethylbenzenesulfonate, 5-Chloro-7-iodoquinolin-8-yl 2,3-dimethylbenzene-1-sulfonate, RefChem:325594
| Molecular Formula | C17H13ClINO3S |
|---|---|
| Molecular Weight | 472.93 g/mol |
| LogP | 4.87734 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.93494 |
| Heavy Atoms | 24 |
| Complexity | 1051.1301 |
Chemical Identifiers
| CAS Number | 63413-57-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I)C |
Product Overview
Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester (CAS 63413-57-0), with molecular formula C17H13ClINO3S and molecular weight 472.93 g/mol. IUPAC: (5-chloro-7-iodoquinolin-8-yl) 2,3-dimethylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester
Property Insights of Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester
The XLogP value of 4.87734 indicates that Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester 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 Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester?
The CAS number of Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester is 63413-57-0.
What is the molecular formula of Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester?
The molecular formula of Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester is C17H13ClINO3S.
What is the molecular weight of Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester?
The molecular weight of Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester is 472.93 g/mol.
Where can I buy Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester?
You can request a quote for Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.