3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
TL;DR: 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 730976-65-5) is a chemical compound with molecular formula C15H20N2OS and molecular weight 276.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptan-2-yl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-(Heptan-2-yl)-2-mercaptoquinazolin-4(3H)-one, 2-mercapto-3-(1-methylhexyl)quinazolin-4(3H)-one, 3-heptan-2-yl-2-sulfanylidene-1H-quinazolin-4-one, AB00980209-01
| Molecular Formula | C15H20N2OS |
|---|---|
| Molecular Weight | 276.13 g/mol |
| LogP | 4.20039 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.12964 |
| Heavy Atoms | 19 |
| Complexity | 671.6353 |
Chemical Identifiers
| CAS Number | 730976-65-5 |
|---|---|
| SMILES | CCCCCC(C)N1C(=O)C2=CC=CC=C2NC1=S |
Product Overview
3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 730976-65-5), with molecular formula C15H20N2OS and molecular weight 276.13 g/mol. IUPAC: 3-heptan-2-yl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
Property Insights of 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
The XLogP value of 4.20039 indicates that 3-(Heptan-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-(Heptan-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-(Heptan-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-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The CAS number of 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 730976-65-5.
What is the molecular formula of 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is C15H20N2OS.
What is the molecular weight of 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 276.13 g/mol.
Where can I buy 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-(Heptan-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-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Heptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.