2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide
TL;DR: 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide (CAS 799799-07-8) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
Also Known As: BAS 10251818, 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide, N,N-diethyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide, 2-(3-Allyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N,N-diethyl-acetamide, N,N-diethyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.543 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 766.0128 |
Chemical Identifiers
| CAS Number | 799799-07-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C |
Product Overview
2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide (CAS 799799-07-8), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: N,N-diethyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide.
Chemical Property Profile of 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide
Property Insights of 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide
The XLogP value of 2.543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide. With a topological polar surface area (TPSA) of 55.2 Ų, 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide has 0 hydrogen bond donor(s) and 4 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-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide?
The CAS number of 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide is 799799-07-8.
What is the molecular formula of 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide?
The molecular formula of 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide is C17H21N3O2S.
What is the molecular weight of 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide?
The molecular weight of 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide is 331.14 g/mol.
Where can I buy 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide?
You can request a quote for 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.