Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
TL;DR: Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (CAS 19178-54-2) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
Also Known As: BAS 01355701, ethyl 2-oxo-3(2H)-benzoxazolepropionate, J3.280.499C, ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate, 3-(2-Oxo-benzooxazol-3-yl)-propionic acid ethyl ester
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 19178-54-2 |
|---|---|
| SMILES | CCOC(=O)CCN1C2=CC=CC=C2OC1=O |
| InChIKey | IPJARCFYDHGAEQ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (CAS 19178-54-2), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.
Chemical Property Profile of Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
Property Insights of Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2-oxo-1,3-benzoxazol-3-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 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The CAS number of Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is 19178-54-2.
What is the molecular formula of Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The molecular formula of Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is C12H13NO4.
What is the molecular weight of Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The molecular weight of Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is 235.08 g/mol.
Where can I buy Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
You can request a quote for Ethyl 3-(2-oxo-1,3-benzoxazol-3-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 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.