2-Mercapto-1-methylquinazolin-4(1H)-one
TL;DR: 2-Mercapto-1-methylquinazolin-4(1H)-one (CAS 4802-85-1) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-sulfanylidenequinazolin-4-one
Also Known As: 2-Mercapto-1-methylquinazolin-4(1H)-one, 1-methyl-2-sulfanylidenequinazolin-4-one, 1-methyl-2-sulfanylquinazolin-4(1H)-one, 2-Mercapto-1-methyl-1H-quinazolin-4-one, 2-Mercapto-1-methyl-4(1H)-quinazolinone
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.59609 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 567.5718 |
Chemical Identifiers
| CAS Number | 4802-85-1 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)NC1=S |
Product Overview
2-Mercapto-1-methylquinazolin-4(1H)-one (CAS 4802-85-1), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 1-methyl-2-sulfanylidenequinazolin-4-one.
Chemical Property Profile of 2-Mercapto-1-methylquinazolin-4(1H)-one
Property Insights of 2-Mercapto-1-methylquinazolin-4(1H)-one
The XLogP value of 1.59609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-1-methylquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 37.79 Ų, 2-Mercapto-1-methylquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-1-methylquinazolin-4(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 2-Mercapto-1-methylquinazolin-4(1H)-one?
The CAS number of 2-Mercapto-1-methylquinazolin-4(1H)-one is 4802-85-1.
What is the molecular formula of 2-Mercapto-1-methylquinazolin-4(1H)-one?
The molecular formula of 2-Mercapto-1-methylquinazolin-4(1H)-one is C9H8N2OS.
What is the molecular weight of 2-Mercapto-1-methylquinazolin-4(1H)-one?
The molecular weight of 2-Mercapto-1-methylquinazolin-4(1H)-one is 192.04 g/mol.
Where can I buy 2-Mercapto-1-methylquinazolin-4(1H)-one?
You can request a quote for 2-Mercapto-1-methylquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-1-methylquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-1-methylquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.