7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione
TL;DR: 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione (CAS 76822-66-7) is a chemical compound with molecular formula C8H4ClN3O4 and molecular weight 240.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-6-nitro-1H-quinazoline-2,4-dione
Also Known As: 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione, 7-chloro-6-nitro-1H-quinazoline-2,4-dione, 7-chloro-6-nitro-2,4(1H,3H)-quinazolinedione, 7-chloro-6-nitro-1,2,3,4-tetrahydroquinazoline-2,4-dione, 2,4(1H,3H)-QUINAZOLINEDIONE, 7-CHLORO-6-NITRO-
| Molecular Formula | C8H4ClN3O4 |
|---|---|
| Molecular Weight | 240.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.98903 |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 76822-66-7 |
|---|---|
| SMILES | C1=C2C(=CC(=C1[N+](=O)[O-])Cl)NC(=O)NC2=O |
| InChIKey | ZOCGHLGJCUHECJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione (CAS 76822-66-7), with molecular formula C8H4ClN3O4 and molecular weight 240.99 g/mol. IUPAC: 7-chloro-6-nitro-1H-quinazoline-2,4-dione.
Chemical Property Profile of 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione
Property Insights of 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 4 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 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione?
The CAS number of 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione is 76822-66-7.
What is the molecular formula of 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione?
The molecular formula of 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione is C8H4ClN3O4.
What is the molecular weight of 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione?
The molecular weight of 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione is 240.99 g/mol.
Where can I buy 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione?
You can request a quote for 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.