5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide
TL;DR: 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide (CAS 59118-15-9) is a chemical compound with molecular formula C15H16N4O4 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,7,7-tetramethyl-3-(3-nitrophenyl)-4-oxidofuro[3,4-e][1,2,4]triazin-4-ium
Also Known As: Dhtm-npfto, 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide, 5,5,7,7-tetramethyl-3-(3-nitrophenyl)-4-oxidofuro[3,4-e][1,2,4]triazin-4-ium, 5,5,7,7-tetramethyl-3-(3-nitrophenyl)-5,7-dihydrofuro[3,4-e][1,2,4]triazine 4-oxide, 5,7-dihydro-5,5,7,7-tetramethyl-3-(m-nitrophenyl)-furo[3,4-e]-as-triazine-4-oxide
| Molecular Formula | C15H16N4O4 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.11716 |
| Heavy Atoms | 23 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 59118-15-9 |
|---|---|
| SMILES | CC1(C2=C(C(O1)(C)C)[N+](=C(N=N2)C3=CC(=CC=C3)[N+](=O)[O-])[O-])C |
| InChIKey | RXJWBJGNIOZICN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide (CAS 59118-15-9), with molecular formula C15H16N4O4 and molecular weight 316.12 g/mol. IUPAC: 5,5,7,7-tetramethyl-3-(3-nitrophenyl)-4-oxidofuro[3,4-e][1,2,4]triazin-4-ium.
Chemical Property Profile of 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide
Property Insights of 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide. Following Lipinski's Rule of Five, 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide has 0 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 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide?
The CAS number of 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide is 59118-15-9.
What is the molecular formula of 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide?
The molecular formula of 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide is C15H16N4O4.
What is the molecular weight of 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide?
The molecular weight of 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide is 316.12 g/mol.
Where can I buy 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide?
You can request a quote for 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo(3,4-e)-as-triazine 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.