methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
TL;DR: methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate (CAS 66628-73-7) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
Also Known As: J3.639.016F, methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate, (Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate, methyl (2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)acetate, methyl (2Z)-(2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.0744 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 478.62784 |
Chemical Identifiers
| CAS Number | 66628-73-7 |
|---|---|
| SMILES | COC(=O)/C=C\1/C(=O)OC2=CC=CC=C2N1 |
Product Overview
methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate (CAS 66628-73-7), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate.
Chemical Property Profile of methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
Property Insights of methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
The XLogP value of 1.0744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate. Following Lipinski's Rule of Five, methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate 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 methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
The CAS number of methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate is 66628-73-7.
What is the molecular formula of methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
The molecular formula of methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate is C11H9NO4.
What is the molecular weight of methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
The molecular weight of methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate is 219.05 g/mol.
Where can I buy methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
You can request a quote for methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-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 (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-2-(2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.