6,8-Dinitro-1H-quinazoline-2,4-dione
TL;DR: 6,8-Dinitro-1H-quinazoline-2,4-dione (CAS 6638-91-1) is a chemical compound with molecular formula C8H4N4O6 and molecular weight 252.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dinitro-1H-quinazoline-2,4-dione
Also Known As: 6,8-Dinitro-1H-quinazoline-2,4-dione, 6,8-dinitroquinazoline-2,4-diol, 6,8-dinitroquinazoline-2,4(1H,3H)-dione, 2,4(1H,3H)-Quinazolinedione, 6,8-dinitro-, 6,8-Dinitro-2,4(1H,3H)-quinazolinedione
| Molecular Formula | C8H4N4O6 |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.01308 |
| Heavy Atoms | 18 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 6638-91-1 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=O)NC(=O)N2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | COWHVSLHGUONGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,8-Dinitro-1H-quinazoline-2,4-dione (CAS 6638-91-1), with molecular formula C8H4N4O6 and molecular weight 252.01 g/mol. IUPAC: 6,8-dinitro-1H-quinazoline-2,4-dione.
Chemical Property Profile of 6,8-Dinitro-1H-quinazoline-2,4-dione
Property Insights of 6,8-Dinitro-1H-quinazoline-2,4-dione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dinitro-1H-quinazoline-2,4-dione. The TPSA of 150.0 Ų indicates high polarity, suggesting 6,8-Dinitro-1H-quinazoline-2,4-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,8-Dinitro-1H-quinazoline-2,4-dione has 2 hydrogen bond donor(s) and 6 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 6,8-Dinitro-1H-quinazoline-2,4-dione?
The CAS number of 6,8-Dinitro-1H-quinazoline-2,4-dione is 6638-91-1.
What is the molecular formula of 6,8-Dinitro-1H-quinazoline-2,4-dione?
The molecular formula of 6,8-Dinitro-1H-quinazoline-2,4-dione is C8H4N4O6.
What is the molecular weight of 6,8-Dinitro-1H-quinazoline-2,4-dione?
The molecular weight of 6,8-Dinitro-1H-quinazoline-2,4-dione is 252.01 g/mol.
Where can I buy 6,8-Dinitro-1H-quinazoline-2,4-dione?
You can request a quote for 6,8-Dinitro-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 6,8-Dinitro-1H-quinazoline-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dinitro-1H-quinazoline-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.