![ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate structure](/static/products/866/866156-33-4.png)
ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate
TL;DR: ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate (CAS 866156-33-4) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate
Also Known As: ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate, ethyl 2-(5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate, ethyl 2-(5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)propanoate, ethyl2-(5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)propanoate
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.4728 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 486.08923 |
Chemical Identifiers
| CAS Number | 866156-33-4 |
|---|---|
| SMILES | CCOC(=O)C(C)N1CCOC2=CC=CC=C2C1=O |
Product Overview
ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate (CAS 866156-33-4), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: ethyl 2-(5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate.
Chemical Property Profile of ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate
Property Insights of ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate
The XLogP value of 1.4728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate. With a topological polar surface area (TPSA) of 55.84 Ų, ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate has 0 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 ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate?
The CAS number of ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate is 866156-33-4.
What is the molecular formula of ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate?
The molecular formula of ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate is C14H17NO4.
What is the molecular weight of ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate?
The molecular weight of ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate is 263.12 g/mol.
Where can I buy ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate?
You can request a quote for ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[5-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.