Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate
TL;DR: Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate (CAS 91119-97-0) is a chemical compound with molecular formula C15H17NO5 and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
Also Known As: 6-Acetyl-2,3-dihydro-alpha-methyl-3-oxo-4H-1,4-benzoxazine-4-acetic acid ethyl ester, ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate, 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-alpha-methyl-3-oxo-, ethyl ester, Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate, 2-(6-acetyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid ethyl ester
| Molecular Formula | C15H17NO5 |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.1107 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 91119-97-0 |
|---|---|
| SMILES | CCOC(=O)C(C)N1C(=O)COC2=C1C=C(C=C2)C(=O)C |
| InChIKey | PCDJMSRCWHEEOL-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate (CAS 91119-97-0), with molecular formula C15H17NO5 and molecular weight 291.11 g/mol. IUPAC: ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate.
Chemical Property Profile of Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate
Property Insights of Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate 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-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate?
The CAS number of Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate is 91119-97-0.
What is the molecular formula of Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate?
The molecular formula of Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate is C15H17NO5.
What is the molecular weight of Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate?
The molecular weight of Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate is 291.11 g/mol.
Where can I buy Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate?
You can request a quote for Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-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-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.