Quinazolinedione
TL;DR: Quinazolinedione (CAS 86-96-4) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-quinazoline-2,4-dione
Also Known As: Benzoyleneurea, quinazoline-2,4(1H,3H)-dione, Benzouracil, Quinazoline-2,4-diol, Quinazolinedione
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
| Solubility | >24.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 86-96-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC(=O)N2 |
| InChIKey | SDQJTWBNWQABLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinazolinedione (CAS 86-96-4), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 1H-quinazoline-2,4-dione.
Chemical Property Profile of Quinazolinedione
Property Insights of Quinazolinedione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinazolinedione. With a topological polar surface area (TPSA) of 58.2 Ų, Quinazolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinazolinedione has 2 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 Quinazolinedione?
The CAS number of Quinazolinedione is 86-96-4.
What is the molecular formula of Quinazolinedione?
The molecular formula of Quinazolinedione is C8H6N2O2.
What is the molecular weight of Quinazolinedione?
The molecular weight of Quinazolinedione is 162.04 g/mol.
Where can I buy Quinazolinedione?
You can request a quote for Quinazolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinazolinedione?
Yes, KEHONG BIO provides custom synthesis services for Quinazolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.