(E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate
TL;DR: (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate (CAS 374082-77-6) is a chemical compound with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(7-nitro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
Also Known As: BAS 02232550, (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate, methyl (2E)-2-(7-nitro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
| Molecular Formula | C11H9N3O5 |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 1.0157 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.05423 |
| Heavy Atoms | 19 |
| Complexity | 608.34827 |
Chemical Identifiers
| CAS Number | 374082-77-6 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)NC2=C(N1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
(E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate (CAS 374082-77-6), with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol. IUPAC: methyl (2E)-2-(7-nitro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate.
Chemical Property Profile of (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate
Property Insights of (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate
The XLogP value of 1.0157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate has 2 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 (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
The CAS number of (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate is 374082-77-6.
What is the molecular formula of (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
The molecular formula of (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate is C11H9N3O5.
What is the molecular weight of (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
The molecular weight of (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate is 263.05 g/mol.
Where can I buy (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
You can request a quote for (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(7-nitro-3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.