ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate
TL;DR: ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate (CAS 787-65-5) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-(6-methyl-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
Also Known As: ethyl (2E)-2-(6-methyl-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate, ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate, (E)-ethyl 2-(6-methyl-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.77292 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 533.79285 |
Chemical Identifiers
| CAS Number | 787-65-5 |
|---|---|
| SMILES | CCOC(=O)/C=C/1\C(=O)OC2=C(N1)C=C(C=C2)C |
Product Overview
ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate (CAS 787-65-5), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: ethyl (2E)-2-(6-methyl-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate.
Chemical Property Profile of ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate
Property Insights of ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate
The XLogP value of 1.77292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate. Following Lipinski's Rule of Five, ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate has 1 hydrogen bond donor(s) and 5 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 ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate?
The CAS number of ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate is 787-65-5.
What is the molecular formula of ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate?
The molecular formula of ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate is C13H13NO4.
What is the molecular weight of ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate?
The molecular weight of ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate is 247.08 g/mol.
Where can I buy ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate?
You can request a quote for ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-(6-methyl-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.