6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one
TL;DR: 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one (CAS 96753-85-4) is a chemical compound with molecular formula C9H5N5O6 and molecular weight 279.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dinitro-2,4-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one
Also Known As: 1H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazin-1-one, 2,4-dihydro-6,8-dinitro-, AN-829/40439298, 2,4-Dihydro-6,8-dinitro-1H-(1,2,4)triazolo(3,4-c)(1,4)benzoxazin-1-one, 6,8-dinitro-2,4-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one, 6,8-dinitro-2,4-dihydro-1H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one
| Molecular Formula | C9H5N5O6 |
|---|---|
| Molecular Weight | 279.02 g/mol |
| LogP | 0.2694 |
| Topological Polar Surface Area | 146.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.024 |
| Heavy Atoms | 20 |
| Complexity | 805.64484 |
Chemical Identifiers
| CAS Number | 96753-85-4 |
|---|---|
| SMILES | C1C2=NNC(=O)N2C3=C(O1)C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one (CAS 96753-85-4), with molecular formula C9H5N5O6 and molecular weight 279.02 g/mol. IUPAC: 6,8-dinitro-2,4-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one.
Chemical Property Profile of 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one
Property Insights of 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one
The XLogP value of 0.2694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one. The TPSA of 146.19 Ų indicates high polarity, suggesting 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one has 1 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 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one?
The CAS number of 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one is 96753-85-4.
What is the molecular formula of 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one?
The molecular formula of 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one is C9H5N5O6.
What is the molecular weight of 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one?
The molecular weight of 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one is 279.02 g/mol.
Where can I buy 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one?
You can request a quote for 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-dinitro-2,4-dihydro-1H-benzo(b)(1,2,4)triazolo(4,3-d)(1,4)oxazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.