Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester
TL;DR: Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester (CAS 61430-86-2) is a chemical compound with molecular formula C15H10INO3S and molecular weight 410.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 4-iodobenzenesulfonate
Also Known As: quinolin-8-yl 4-iodobenzenesulfonate, Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester, 8-quinolinyl 4-iodobenzenesulfonate, Quinolin-8-yl 4-iodobenzene-1-sulfonate, AO-548/40917688
| Molecular Formula | C15H10INO3S |
|---|---|
| Molecular Weight | 410.94 g/mol |
| LogP | 3.6071 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.9426 |
| Heavy Atoms | 21 |
| Complexity | 886.9456 |
Chemical Identifiers
| CAS Number | 61430-86-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OS(=O)(=O)C3=CC=C(C=C3)I)N=CC=C2 |
Product Overview
Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester (CAS 61430-86-2), with molecular formula C15H10INO3S and molecular weight 410.94 g/mol. IUPAC: quinolin-8-yl 4-iodobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester
Property Insights of Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester
The XLogP value of 3.6071 indicates that Benzenesulfonic acid, 4-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, 4-iodo-, 8-quinolinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-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, 4-iodo-, 8-quinolinyl ester?
The CAS number of Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester is 61430-86-2.
What is the molecular formula of Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester?
The molecular formula of Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester is C15H10INO3S.
What is the molecular weight of Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester?
The molecular weight of Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester is 410.94 g/mol.
Where can I buy Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester?
You can request a quote for Benzenesulfonic acid, 4-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, 4-iodo-, 8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-iodo-, 8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.