methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
TL;DR: methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate (CAS 1257269-02-5) is a chemical compound with molecular formula C11H8ClNO4 and molecular weight 253.01419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
Also Known As: methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate, (Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate, methyl (2Z)-(6-chloro-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate, methyl 2-(6-chloro-2-oxo-4H-benzo[e]1,4-oxazin-3-ylidene)acetate, Methyl-(6-chloro-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)ethanoate
Technical Specifications
| Molecular Formula | C11H8ClNO4 |
| Molecular Weight | 253.01419 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.01419 Da |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
| SMILES | COC(=O)/C=C\1/C(=O)OC2=C(N1)C=C(C=C2)Cl |
| InChIKey | ZTENAAHURFCLOO-YVMONPNESA-N |
Chemical Property Profile of methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
Property Insights of methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate. Following Lipinski's Rule of Five, methyl (2Z)-2-(6-chloro-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
What is the CAS number of methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
The CAS number of methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate is 1257269-02-5.
What is the molecular formula of methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
The molecular formula of methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate is C11H8ClNO4.
What is the molecular weight of methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
The molecular weight of methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate is 253.01419 g/mol.
Where can I buy methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
You can request a quote for methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate?
Yes, CoreyChem provides custom synthesis services for methyl (2Z)-2-(6-chloro-2-oxo-4H-1,4-benzoxazin-3-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.