Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester
TL;DR: Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester (CAS 63413-56-9) is a chemical compound with molecular formula C17H12ClIN2O4S and molecular weight 501.93 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-acetamidobenzenesulfonate
Also Known As: Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester, (Acetylamino)benzenesulfonic acid 5-chloro-7-iodo-8-quinolinyl ester, (5-chloro-7-iodoquinolin-8-yl) 2-acetamidobenzenesulfonate, 5-Chloro-7-iodoquinolin-8-yl 2-acetamidobenzene-1-sulfonate, RefChem:325510
| Molecular Formula | C17H12ClIN2O4S |
|---|---|
| Molecular Weight | 501.93 g/mol |
| LogP | 4.2189 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.9251 |
| Heavy Atoms | 26 |
| Complexity | 1118.946 |
Chemical Identifiers
| CAS Number | 63413-56-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC=C1S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I |
Product Overview
Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester (CAS 63413-56-9), with molecular formula C17H12ClIN2O4S and molecular weight 501.93 g/mol. IUPAC: (5-chloro-7-iodoquinolin-8-yl) 2-acetamidobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester
Property Insights of Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester
The XLogP value of 4.2189 indicates that Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester?
The CAS number of Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester is 63413-56-9.
What is the molecular formula of Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester?
The molecular formula of Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester is C17H12ClIN2O4S.
What is the molecular weight of Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester?
The molecular weight of Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester is 501.93 g/mol.
Where can I buy Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester?
You can request a quote for Benzenesulfonic acid, (acetylamino)-, 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, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, (acetylamino)-, 5-chloro-7-iodo-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.