methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate
TL;DR: methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate (CAS 53700-45-1) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
Also Known As: methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate, BAS 00458948, methyl (2E)-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate, J2.480.882C, methyl 2-[(2E)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.1075 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 479.87296 |
Chemical Identifiers
| CAS Number | 53700-45-1 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)NC2=CC=CC=C2N1 |
Product Overview
methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate (CAS 53700-45-1), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: methyl (2E)-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate.
Chemical Property Profile of methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate
Property Insights of methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate
The XLogP value of 1.1075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate. Following Lipinski's Rule of Five, methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate has 2 hydrogen bond donor(s) and 4 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 methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
The CAS number of methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate is 53700-45-1.
What is the molecular formula of methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
The molecular formula of methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate is C11H10N2O3.
What is the molecular weight of methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
The molecular weight of methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate is 218.07 g/mol.
Where can I buy methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
You can request a quote for methyl (2E)-(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 methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.