8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester)
TL;DR: 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester) (CAS 63361-49-9) is a chemical compound with molecular formula C16H11ClINO3S and molecular weight 458.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-7-iodoquinolin-8-yl) 4-methylbenzenesulfonate
Also Known As: 5-21-03-00295 (Beilstein Handbook Reference), 5-Chloro-7-iodo-8-quinolinol 4-methylbenzenesulfonate, 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester), 5-chloro-7-iodoquinolin-8-yl 4-methylbenzene-1-sulfonate, (5-chloro-7-iodoquinolin-8-yl) 4-methylbenzenesulfonate
| Molecular Formula | C16H11ClINO3S |
|---|---|
| Molecular Weight | 458.92 g/mol |
| LogP | 4.56892 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.91928 |
| Heavy Atoms | 23 |
| Complexity | 988.12805 |
Chemical Identifiers
| CAS Number | 63361-49-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I |
Product Overview
8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester) (CAS 63361-49-9), with molecular formula C16H11ClINO3S and molecular weight 458.92 g/mol. IUPAC: (5-chloro-7-iodoquinolin-8-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester)
Property Insights of 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester)
The XLogP value of 4.56892 indicates that 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (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, 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (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 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester)?
The CAS number of 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester) is 63361-49-9.
What is the molecular formula of 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester)?
The molecular formula of 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester) is C16H11ClINO3S.
What is the molecular weight of 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester)?
The molecular weight of 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester) is 458.92 g/mol.
Where can I buy 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester)?
You can request a quote for 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 8-Quinolinol, 5-chloro-7-iodo-, 4-methylbenzenesulfonate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.