3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
TL;DR: 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 855715-17-2) is a chemical compound with molecular formula C16H22N2OS and molecular weight 290.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-methylheptan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(6-methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 2-Mercapto-3-(6-methylheptan-2-yl)quinazolin-4(3H)-one, 3-(1,5-dimethylhexyl)-2-mercaptoquinazolin-4(3H)-one, 3-(1,5-dimethylhexyl)-2-thioxo-1H-quinazolin-4-one, 3-(6-methylheptan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C16H22N2OS |
|---|---|
| Molecular Weight | 290.15 g/mol |
| LogP | 4.44639 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.1453 |
| Heavy Atoms | 20 |
| Complexity | 699.4245 |
Chemical Identifiers
| CAS Number | 855715-17-2 |
|---|---|
| SMILES | CC(C)CCCC(C)N1C(=O)C2=CC=CC=C2NC1=S |
Product Overview
3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 855715-17-2), with molecular formula C16H22N2OS and molecular weight 290.15 g/mol. IUPAC: 3-(6-methylheptan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
Property Insights of 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
The XLogP value of 4.44639 indicates that 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-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, 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-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 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The CAS number of 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 855715-17-2.
What is the molecular formula of 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is C16H22N2OS.
What is the molecular weight of 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 290.15 g/mol.
Where can I buy 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.