2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester
TL;DR: 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester (CAS 18464-40-9) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-oxo-4H-1,3-benzoxazin-3-yl)propanoate
Also Known As: Ethyl 2-oxo-2H-1,3-benzoxazine-3(4H)-propionate, 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester, ethyl 3-(2-oxo-4H-1,3-benzoxazin-3-yl)propanoate, Ethyl 3-(2-oxo-2H-1,3-benzoxazin-3(4H)-yl)propanoate, BRN 1137603
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 18464-40-9 |
|---|---|
| SMILES | CCOC(=O)CCN1CC2=CC=CC=C2OC1=O |
| InChIKey | FFYFKABMFYQJCO-UHFFFAOYSA-N |
Product Overview
2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester (CAS 18464-40-9), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: ethyl 3-(2-oxo-4H-1,3-benzoxazin-3-yl)propanoate.
Chemical Property Profile of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester
Property Insights of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester 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 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester?
The CAS number of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester is 18464-40-9.
What is the molecular formula of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester?
The molecular formula of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester is C13H15NO4.
What is the molecular weight of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester?
The molecular weight of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester is 249.10 g/mol.
Where can I buy 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester?
You can request a quote for 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.