7-methyl-1-sulfanylidene-4H-isoquinolin-3-one
TL;DR: 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one (CAS 90923-89-0) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-1-sulfanylidene-4H-isoquinolin-3-one
Also Known As: 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one, N-(2-Aminophenyl)-2-chloronicotinamide, 7-methyl-1-thioxo-1,4-dihydro-2H-isoquinolin-3-one, 7-Methyl-1-sulfanylidene-1,4-dihydroisoquinolin-3(2H)-one
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.34282 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 397.91125 |
Chemical Identifiers
| CAS Number | 90923-89-0 |
|---|---|
| SMILES | CC1=CC2=C(CC(=O)NC2=S)C=C1 |
Product Overview
7-methyl-1-sulfanylidene-4H-isoquinolin-3-one (CAS 90923-89-0), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one.
Chemical Property Profile of 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one
Property Insights of 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one
The XLogP value of 1.34282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one. With a topological polar surface area (TPSA) of 29.1 Ų, 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methyl-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 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one?
The CAS number of 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one is 90923-89-0.
What is the molecular formula of 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one?
The molecular formula of 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one is C10H9NOS.
What is the molecular weight of 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one?
The molecular weight of 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one is 191.04 g/mol.
Where can I buy 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one?
You can request a quote for 7-methyl-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 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.