4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
TL;DR: 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one (CAS 28670-89-5) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
Also Known As: F2684-0098, 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one, 4-methylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one, 5,6,7,8-tetrahydro-4-(methylthio)-2(3H)-Quinazolinone
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.3706 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 352.1177 |
Chemical Identifiers
| CAS Number | 28670-89-5 |
|---|---|
| SMILES | CSC1=NC(=O)NC2=C1CCCC2 |
Product Overview
4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one (CAS 28670-89-5), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: 4-methylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
Chemical Property Profile of 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
Property Insights of 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
The XLogP value of 1.3706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one has 1 hydrogen bond donor(s) and 3 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-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The CAS number of 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is 28670-89-5.
What is the molecular formula of 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The molecular formula of 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is C9H12N2OS.
What is the molecular weight of 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The molecular weight of 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is 196.07 g/mol.
Where can I buy 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
You can request a quote for 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-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-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(methylthio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.