3-phenethyl-1H-quinazoline-2,4-dione
TL;DR: 3-phenethyl-1H-quinazoline-2,4-dione (CAS 4059-71-6) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethyl)-1H-quinazoline-2,4-dione
Also Known As: TimTec1_003651, 3-phenethyl-1H-quinazoline-2,4-dione, 3-Phenethylquinazoline-2,4(1H,3H)-dione, 3-(2-phenylethyl)quinazoline-2,4(1H,3H)-dione, 3-phenethyl-2,4(1H,3H)-quinazolinedione
| Molecular Formula | C16H14N2O2 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.10553 |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 4059-71-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3NC2=O |
| InChIKey | BDGXLBKYEOPKJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-phenethyl-1H-quinazoline-2,4-dione (CAS 4059-71-6), with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol. IUPAC: 3-(2-phenylethyl)-1H-quinazoline-2,4-dione.
Chemical Property Profile of 3-phenethyl-1H-quinazoline-2,4-dione
Property Insights of 3-phenethyl-1H-quinazoline-2,4-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenethyl-1H-quinazoline-2,4-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 3-phenethyl-1H-quinazoline-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenethyl-1H-quinazoline-2,4-dione 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-phenethyl-1H-quinazoline-2,4-dione?
The CAS number of 3-phenethyl-1H-quinazoline-2,4-dione is 4059-71-6.
What is the molecular formula of 3-phenethyl-1H-quinazoline-2,4-dione?
The molecular formula of 3-phenethyl-1H-quinazoline-2,4-dione is C16H14N2O2.
What is the molecular weight of 3-phenethyl-1H-quinazoline-2,4-dione?
The molecular weight of 3-phenethyl-1H-quinazoline-2,4-dione is 266.11 g/mol.
Where can I buy 3-phenethyl-1H-quinazoline-2,4-dione?
You can request a quote for 3-phenethyl-1H-quinazoline-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenethyl-1H-quinazoline-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-phenethyl-1H-quinazoline-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.