2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate
TL;DR: 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate (CAS 866018-83-9) is a chemical compound with molecular formula C17H13N3O8 and molecular weight 387.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzoate
Also Known As: 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate, 4W-0325, 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzoate, 2-(7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzoate, 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl3-nitrobenzoate
| Molecular Formula | C17H13N3O8 |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | 2.4496 |
| Topological Polar Surface Area | 150.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.07025 |
| Heavy Atoms | 28 |
| Complexity | 974.6249 |
Chemical Identifiers
| CAS Number | 866018-83-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate (CAS 866018-83-9), with molecular formula C17H13N3O8 and molecular weight 387.07 g/mol. IUPAC: 2-(7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzoate.
Chemical Property Profile of 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate
Property Insights of 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate
The XLogP value of 2.4496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate. The TPSA of 150.91 Ų indicates high polarity, suggesting 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate has 1 hydrogen bond donor(s) and 8 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 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate?
The CAS number of 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate is 866018-83-9.
What is the molecular formula of 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate?
The molecular formula of 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate is C17H13N3O8.
What is the molecular weight of 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate?
The molecular weight of 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate is 387.07 g/mol.
Where can I buy 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate?
You can request a quote for 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.