![4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one structure](/static/products/628/6286-57-3.png)
4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one
TL;DR: 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one (CAS 6286-57-3) 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.
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one
Also Known As: 4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5(4h)-one, 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one, 4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-3-phenylisoxazol-5-one, (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5(4H)-one, (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one
| Molecular Formula | C17H11NO4 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 2.7598 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.06882 |
| Heavy Atoms | 22 |
| Complexity | 808.6636 |
Chemical Identifiers
| CAS Number | 6286-57-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=NOC3=O)C4=CC=CC=C4 |
Product Overview
4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one (CAS 6286-57-3), with molecular formula C17H11NO4 and molecular weight 293.07 g/mol. IUPAC: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one
Property Insights of 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one
The XLogP value of 2.7598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one. With a topological polar surface area (TPSA) of 57.12 Ų, 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-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-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one?
The CAS number of 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one is 6286-57-3.
What is the molecular formula of 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one?
The molecular formula of 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one is C17H11NO4.
What is the molecular weight of 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one?
The molecular weight of 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one is 293.07 g/mol.
Where can I buy 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one?
You can request a quote for 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-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-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzo[d][1,3]dioxol-5-ylmethylene)-3-phenylisoxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.