4-mercapto-1-methylquinolin-2(1H)-one
TL;DR: 4-mercapto-1-methylquinolin-2(1H)-one (CAS 291517-72-1) 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.
1-methyl-4-sulfanylquinolin-2-one
Also Known As: 1-methyl-4-sulfanylquinolin-2-one, 1-methyl-4-sulfanyl-quinolin-2-one, 4-mercapto-1-methylquinolin-2(1H)-one, 1-methyl-4-sulfanylhydroquinolin-2-one, 1-Methyl-4-mercaptoquinoline-2(1H)-one
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.8272 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 515.80396 |
Chemical Identifiers
| CAS Number | 291517-72-1 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=CC1=O)S |
Product Overview
4-mercapto-1-methylquinolin-2(1H)-one (CAS 291517-72-1), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 1-methyl-4-sulfanylquinolin-2-one.
Chemical Property Profile of 4-mercapto-1-methylquinolin-2(1H)-one
Property Insights of 4-mercapto-1-methylquinolin-2(1H)-one
The XLogP value of 1.8272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-mercapto-1-methylquinolin-2(1H)-one. With a topological polar surface area (TPSA) of 22.0 Ų, 4-mercapto-1-methylquinolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-mercapto-1-methylquinolin-2(1H)-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 4-mercapto-1-methylquinolin-2(1H)-one?
The CAS number of 4-mercapto-1-methylquinolin-2(1H)-one is 291517-72-1.
What is the molecular formula of 4-mercapto-1-methylquinolin-2(1H)-one?
The molecular formula of 4-mercapto-1-methylquinolin-2(1H)-one is C10H9NOS.
What is the molecular weight of 4-mercapto-1-methylquinolin-2(1H)-one?
The molecular weight of 4-mercapto-1-methylquinolin-2(1H)-one is 191.04 g/mol.
Where can I buy 4-mercapto-1-methylquinolin-2(1H)-one?
You can request a quote for 4-mercapto-1-methylquinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-mercapto-1-methylquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-mercapto-1-methylquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.