![2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate structure](/static/products/866/866039-52-3.png)
2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate
TL;DR: 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate (CAS 866039-52-3) is a chemical compound with molecular formula C16H13N3O6 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzoate
Also Known As: 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate, 2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzoate, 2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-2-yl}ethyl 4-nitrobenzoate, 2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-2-yl}ethyl4-nitrobenzoate, 2-(3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzoate
| Molecular Formula | C16H13N3O6 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 1.9364 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.08044 |
| Heavy Atoms | 25 |
| Complexity | 820.8747 |
Chemical Identifiers
| CAS Number | 866039-52-3 |
|---|---|
| SMILES | C1=CC2=C(NC(=O)C(O2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1 |
Product Overview
2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate (CAS 866039-52-3), with molecular formula C16H13N3O6 and molecular weight 343.08 g/mol. IUPAC: 2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzoate.
Chemical Property Profile of 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate
Property Insights of 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate
The XLogP value of 1.9364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate. The TPSA of 120.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate 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 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate?
The CAS number of 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate is 866039-52-3.
What is the molecular formula of 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate?
The molecular formula of 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate is C16H13N3O6.
What is the molecular weight of 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate?
The molecular weight of 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate is 343.08 g/mol.
Where can I buy 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate?
You can request a quote for 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-2-yl)ethyl 4-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.