3-(2-Propynyl)-4(3H)-quinazolinone
TL;DR: 3-(2-Propynyl)-4(3H)-quinazolinone (CAS 16347-56-1) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynylquinazolin-4-one
Also Known As: 3-prop-2-ynylquinazolin-4-one, 3-(2-Propynyl)quinazolin-4(3H)-one, 3-(2-Propynyl)-4(3H)-quinazolinone, 3-(prop-2-yn-1-yl)quinazolin-4(3H)-one, 3-Propargylquinazoline-4(3H)-one
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 16347-56-1 |
|---|---|
| SMILES | C#CCN1C=NC2=CC=CC=C2C1=O |
| InChIKey | RVWFESXIVOHRKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Propynyl)-4(3H)-quinazolinone (CAS 16347-56-1), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 3-prop-2-ynylquinazolin-4-one.
Chemical Property Profile of 3-(2-Propynyl)-4(3H)-quinazolinone
Property Insights of 3-(2-Propynyl)-4(3H)-quinazolinone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Propynyl)-4(3H)-quinazolinone. With a topological polar surface area (TPSA) of 32.7 Ų, 3-(2-Propynyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Propynyl)-4(3H)-quinazolinone has 0 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-(2-Propynyl)-4(3H)-quinazolinone?
The CAS number of 3-(2-Propynyl)-4(3H)-quinazolinone is 16347-56-1.
What is the molecular formula of 3-(2-Propynyl)-4(3H)-quinazolinone?
The molecular formula of 3-(2-Propynyl)-4(3H)-quinazolinone is C11H8N2O.
What is the molecular weight of 3-(2-Propynyl)-4(3H)-quinazolinone?
The molecular weight of 3-(2-Propynyl)-4(3H)-quinazolinone is 184.06 g/mol.
Where can I buy 3-(2-Propynyl)-4(3H)-quinazolinone?
You can request a quote for 3-(2-Propynyl)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Propynyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Propynyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.