3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one
TL;DR: 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one (CAS 497060-22-7) is a chemical compound with molecular formula C11H8N2OS and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-PROP-2-YNYL-2-THIOXO-1,3-DIHYDROQUINAZOLIN-4-ONE, 3-prop-2-ynyl-2-thioxo-1H-quinazolin-4-one, 3-prop-2-ynyl-2-sulfanylidene-1H-quinazolin-4-one, 3-(prop-2-yn-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, AO-990/15068053
| Molecular Formula | C11H8N2OS |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 1.69229 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.03574 |
| Heavy Atoms | 15 |
| Complexity | 660.5679 |
Chemical Identifiers
| CAS Number | 497060-22-7 |
|---|---|
| SMILES | C#CCN1C(=O)C2=CC=CC=C2NC1=S |
Product Overview
3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one (CAS 497060-22-7), with molecular formula C11H8N2OS and molecular weight 216.04 g/mol. IUPAC: 3-prop-2-ynyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one
Property Insights of 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one
The XLogP value of 1.69229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one. With a topological polar surface area (TPSA) of 37.79 Ų, 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Prop-2-ynyl-2-thioxo-1,3-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-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one?
The CAS number of 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one is 497060-22-7.
What is the molecular formula of 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one?
The molecular formula of 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one is C11H8N2OS.
What is the molecular weight of 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one?
The molecular weight of 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one is 216.04 g/mol.
Where can I buy 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one?
You can request a quote for 3-Prop-2-ynyl-2-thioxo-1,3-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-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Prop-2-ynyl-2-thioxo-1,3-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.