![3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine structure](/static/products/4777/477766-89-5.webp)
3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine
TL;DR: 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine (CAS 477766-89-5) is a chemical compound with molecular formula C14H15N7O2 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-2-(4-nitrophenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-4,9,11-triene
Also Known As: 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine, 12N-830, 4,7-dimethyl-2-(4-nitrophenyl)-1,5,6,8,10,12-hexaazatricyclo[7.3.0.0^{3,7}]dodeca-4,9,11-triene, 4,7-Dimethyl-2-(4-nitrophenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-4,9,11-triene, 4,7-dimethyl-2-(4-nitrophenyl)-1,5,6,8,10,12-hexaazatricyclo[7.3.0.0(3),?]dodeca-4,9,11-triene
| Molecular Formula | C14H15N7O2 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 1.5127 |
| Topological Polar Surface Area | 110.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.12872 |
| Heavy Atoms | 23 |
| Complexity | 812.7882 |
Chemical Identifiers
| CAS Number | 477766-89-5 |
|---|---|
| SMILES | CC1=NNC2(C1C(N3C(=NC=N3)N2)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine (CAS 477766-89-5), with molecular formula C14H15N7O2 and molecular weight 313.13 g/mol. IUPAC: 4,7-dimethyl-2-(4-nitrophenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-4,9,11-triene.
Chemical Property Profile of 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine
Property Insights of 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine
The XLogP value of 1.5127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine. The TPSA of 110.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine. Following Lipinski's Rule of Five, 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine has 2 hydrogen bond donor(s) and 7 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 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
The CAS number of 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine is 477766-89-5.
What is the molecular formula of 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
The molecular formula of 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine is C14H15N7O2.
What is the molecular weight of 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
The molecular weight of 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine is 313.13 g/mol.
Where can I buy 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
You can request a quote for 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3,9a-dimethyl-4-(4-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.