2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one
TL;DR: 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one (CAS 731776-64-0) is a chemical compound with molecular formula C17H24N2OS and molecular weight 304.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-methyloctyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one, 3-(7-methyloctyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-(7-methyloctyl)-2-sulfanylidene-1H-quinazolin-4-one, 4-hydroxy-3-(7-methyloctyl)quinazoline-2-thione, 3-(7-methyloctyl)-2-thioxo-1H-quinazolin-4-one
| Molecular Formula | C17H24N2OS |
|---|---|
| Molecular Weight | 304.16 g/mol |
| LogP | 4.66559 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.16095 |
| Heavy Atoms | 21 |
| Complexity | 699.73773 |
Chemical Identifiers
| CAS Number | 731776-64-0 |
|---|---|
| SMILES | CC(C)CCCCCCN1C(=O)C2=CC=CC=C2NC1=S |
Product Overview
2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one (CAS 731776-64-0), with molecular formula C17H24N2OS and molecular weight 304.16 g/mol. IUPAC: 3-(7-methyloctyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one
Property Insights of 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one
The XLogP value of 4.66559 indicates that 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-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-3-(7-methyloctyl)quinazolin-4(3H)-one?
The CAS number of 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one is 731776-64-0.
What is the molecular formula of 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one?
The molecular formula of 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one is C17H24N2OS.
What is the molecular weight of 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one?
The molecular weight of 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one is 304.16 g/mol.
Where can I buy 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one?
You can request a quote for 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-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-3-(7-methyloctyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-mercapto-3-(7-methyloctyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.