2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one
TL;DR: 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one (CAS 107717-44-2) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-5-ethyl-3,1-benzoxazin-4-one
Also Known As: 2-ethoxy-5-ethyl-benzoxazinone-4, 2-ethoxy-5-ethyl-3,1-benzoxazin-4-one, 2-ethoxy-5-ethyl-4H-3,1-benzoxazin-4-one, 2-Ethoxy-5-ethyl-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 107717-44-2 |
|---|---|
| SMILES | CCC1=C2C(=CC=C1)N=C(OC2=O)OCC |
| InChIKey | GQODVGKEVQQEND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one (CAS 107717-44-2), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 2-ethoxy-5-ethyl-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one
Property Insights of 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 47.9 Ų, 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one 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 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one?
The CAS number of 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one is 107717-44-2.
What is the molecular formula of 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one?
The molecular formula of 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one is C12H13NO3.
What is the molecular weight of 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one?
The molecular weight of 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one is 219.09 g/mol.
Where can I buy 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one?
You can request a quote for 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-5-ethyl-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.