4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one
TL;DR: 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one (CAS 6948-18-1) is a chemical compound with molecular formula C17H11NO4 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one
Also Known As: ChemDiv3_004350, 4-(1,3-benzodioxol-5-ylmethylene)-3-phenyl-5(4H)-isoxazolone, 4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one, 4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5(4h)-one
| Molecular Formula | C17H11NO4 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.06882 |
| Heavy Atoms | 22 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 6948-18-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C3C(=NOC3=O)C4=CC=CC=C4 |
| InChIKey | HXPYADVNHOGEER-UHFFFAOYSA-N |
Product Overview
4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one (CAS 6948-18-1), with molecular formula C17H11NO4 and molecular weight 293.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one
Property Insights of 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one
The XLogP value of 3.7 indicates that 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one 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 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one?
The CAS number of 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one is 6948-18-1.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one?
The molecular formula of 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one is C17H11NO4.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one?
The molecular weight of 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one is 293.07 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one?
You can request a quote for 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.