4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione
TL;DR: 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione (CAS 204516-58-5) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
Also Known As: BAS 12409076, J2.126.446F, 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione, 4-(3-nitrophenyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2,5-dione, 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
| Molecular Formula | C14H13N3O4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 1.9558 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0906 |
| Heavy Atoms | 21 |
| Complexity | 680.55164 |
Chemical Identifiers
| CAS Number | 204516-58-5 |
|---|---|
| SMILES | C1CC2=C(C(NC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1 |
Product Overview
4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione (CAS 204516-58-5), with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol. IUPAC: 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
Chemical Property Profile of 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione
Property Insights of 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione
The XLogP value of 1.9558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione. Following Lipinski's Rule of Five, 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-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 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione?
The CAS number of 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione is 204516-58-5.
What is the molecular formula of 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione?
The molecular formula of 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione is C14H13N3O4.
What is the molecular weight of 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione?
The molecular weight of 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione is 287.09 g/mol.
Where can I buy 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione?
You can request a quote for 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-nitrophenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.