4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one
TL;DR: 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one (CAS 796106-77-9) is a chemical compound with molecular formula C12H10FNO3 and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one
Also Known As: 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one
| Molecular Formula | C12H10FNO3 |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 2.007 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.06447 |
| Heavy Atoms | 17 |
| Complexity | 490.97714 |
Chemical Identifiers
| CAS Number | 796106-77-9 |
|---|---|
| SMILES | CCO/C=C/1\C(=O)OC(=N1)C2=CC=C(C=C2)F |
Product Overview
4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one (CAS 796106-77-9), with molecular formula C12H10FNO3 and molecular weight 235.06 g/mol. IUPAC: (4E)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one
Property Insights of 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one
The XLogP value of 2.007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one. With a topological polar surface area (TPSA) of 47.89 Ų, 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-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 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one?
The CAS number of 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one is 796106-77-9.
What is the molecular formula of 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one?
The molecular formula of 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one is C12H10FNO3.
What is the molecular weight of 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one?
The molecular weight of 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one is 235.06 g/mol.
Where can I buy 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one?
You can request a quote for 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethoxymethylene)-2-(4-fluorophenyl)oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.