![6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one structure](/static/products/5738/5738-77-2.webp)
6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
TL;DR: 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one (CAS 5738-77-2) is a chemical compound with molecular formula C17H17N5O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-9-(3-nitrophenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one, 6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6,6-dimethyl-9-(3-nitrophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 6,6-dimethyl-9-(3-nitrophenyl)-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[5,1-b]qui nazolin-8-one
| Molecular Formula | C17H17N5O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 2.8444 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.13315 |
| Heavy Atoms | 25 |
| Complexity | 927.86945 |
Chemical Identifiers
| CAS Number | 5738-77-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC=N3)N2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C |
Product Overview
6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one (CAS 5738-77-2), with molecular formula C17H17N5O3 and molecular weight 339.13 g/mol. IUPAC: 6,6-dimethyl-9-(3-nitrophenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
Property Insights of 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
The XLogP value of 2.8444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one. Following Lipinski's Rule of Five, 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one has 1 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 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
The CAS number of 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one is 5738-77-2.
What is the molecular formula of 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
The molecular formula of 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one is C17H17N5O3.
What is the molecular weight of 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
The molecular weight of 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one is 339.13 g/mol.
Where can I buy 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
You can request a quote for 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6-dimethyl-9-(3-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.