5-chloro-1-sulfanylidene-4H-isoquinolin-3-one
TL;DR: 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one (CAS 22482-75-3) is a chemical compound with molecular formula C9H6ClNOS and molecular weight 210.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-sulfanylidene-4H-isoquinolin-3-one
Also Known As: 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one, 5-Chloro-1-sulfanylidene-1,4-dihydroisoquinolin-3(2H)-one
| Molecular Formula | C9H6ClNOS |
|---|---|
| Molecular Weight | 210.99 g/mol |
| LogP | 1.6878 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.98586 |
| Heavy Atoms | 13 |
| Complexity | 402.60123 |
Chemical Identifiers
| CAS Number | 22482-75-3 |
|---|---|
| SMILES | C1C2=C(C=CC=C2Cl)C(=S)NC1=O |
Product Overview
5-chloro-1-sulfanylidene-4H-isoquinolin-3-one (CAS 22482-75-3), with molecular formula C9H6ClNOS and molecular weight 210.99 g/mol. IUPAC: 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one.
Chemical Property Profile of 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one
Property Insights of 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one
The XLogP value of 1.6878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one. With a topological polar surface area (TPSA) of 29.1 Ų, 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one has 1 hydrogen bond donor(s) and 2 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-1-sulfanylidene-4H-isoquinolin-3-one?
The CAS number of 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one is 22482-75-3.
What is the molecular formula of 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one?
The molecular formula of 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one is C9H6ClNOS.
What is the molecular weight of 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one?
The molecular weight of 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one is 210.99 g/mol.
Where can I buy 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one?
You can request a quote for 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.