![4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one structure](/static/products/7682/76822-97-4.webp)
4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one
TL;DR: 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one (CAS 76822-97-4) is a chemical compound with molecular formula C17H10ClNO4 and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
Also Known As: BAS 00487444, 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one, (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one, 4-((6-Chlorobenzo[d][1,3]dioxol-5-yl)methylene)-2-phenyloxazol-5(4H)-one, 4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5(4h)-one
| Molecular Formula | C17H10ClNO4 |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 3.4132 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.02985 |
| Heavy Atoms | 23 |
| Complexity | 858.39716 |
Chemical Identifiers
| CAS Number | 76822-97-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4)Cl |
Product Overview
4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one (CAS 76822-97-4), with molecular formula C17H10ClNO4 and molecular weight 327.03 g/mol. IUPAC: (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one
Property Insights of 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one
The XLogP value of 3.4132 indicates that 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.12 Ų, 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-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-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one?
The CAS number of 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one is 76822-97-4.
What is the molecular formula of 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one?
The molecular formula of 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one is C17H10ClNO4.
What is the molecular weight of 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one?
The molecular weight of 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one is 327.03 g/mol.
Where can I buy 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one?
You can request a quote for 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-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-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.