![ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate structure](/static/products/861/861210-69-7.png)
ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate
TL;DR: ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate (CAS 861210-69-7) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-5-oxo-1,3,4-benzoxadiazepin-4-yl)acetate
Also Known As: ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate, ethyl 2-(2-methyl-5-oxo-1,3,4-benzoxadiazepin-4-yl)acetate, ethyl 2-(2-methyl-5-oxo-4,5-dihydro-1,3,4-benzoxadiazepin-4-yl)acetate, 2W-0866, ethyl2-(2-methyl-5-oxo-4,5-dihydro-1,3,4-benzoxadiazepin-4-yl)acetate
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 1.4177 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 539.1997 |
Chemical Identifiers
| CAS Number | 861210-69-7 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=CC=CC=C2OC(=N1)C |
Product Overview
ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate (CAS 861210-69-7), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: ethyl 2-(2-methyl-5-oxo-1,3,4-benzoxadiazepin-4-yl)acetate.
Chemical Property Profile of ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate
Property Insights of ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate
The XLogP value of 1.4177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate has 0 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 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate?
The CAS number of ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate is 861210-69-7.
What is the molecular formula of ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate?
The molecular formula of ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate is C13H14N2O4.
What is the molecular weight of ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate?
The molecular weight of ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate is 262.10 g/mol.
Where can I buy ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate?
You can request a quote for ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-methyl-5-oxo-1,3,4-benzoxadiazepin-4(5H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.