![3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one structure](/static/products/1695/16951-27-2.webp)
3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 16951-27-2) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[2-(dimethylamino)ethyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one, (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid, 3-[2-(dimethylamino)ethyl]-2-mercaptoquinazolin-4(3H)-one, 3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 1.62069 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 641.9762 |
Chemical Identifiers
| CAS Number | 16951-27-2 |
|---|---|
| SMILES | CN(C)CCN1C(=O)C2=CC=CC=C2NC1=S |
Product Overview
3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 16951-27-2), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 1.62069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 41.03 Ų, 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(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 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 16951-27-2.
What is the molecular formula of 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C12H15N3OS.
What is the molecular weight of 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 249.09 g/mol.
Where can I buy 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.