![4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one structure](/static/products/1134/113425-80-2.webp)
4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
TL;DR: 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (CAS 113425-80-2) is a chemical compound with molecular formula C16H9Br2NO3 and molecular weight 420.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Also Known As: 4-(3,5-dibromosalicylidene)-2-phenyl-2-oxazolin-5-one, Oxazol-5(4H)-one, 4-(3,5-dibromo-2-hydroxybenzylideno)-2-phenyl-, 4-(3,5-dibromo-2-hydroxybenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one, 4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
| Molecular Formula | C16H9Br2NO3 |
|---|---|
| Molecular Weight | 420.89 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.89493 |
| Heavy Atoms | 22 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 113425-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CC3=C(C(=CC(=C3)Br)Br)O)C(=O)O2 |
| InChIKey | SRPURPRVWVIXRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (CAS 113425-80-2), with molecular formula C16H9Br2NO3 and molecular weight 420.89 g/mol. IUPAC: 4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Property Insights of 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
The XLogP value of 4.6 indicates that 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one has 1 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-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The CAS number of 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is 113425-80-2.
What is the molecular formula of 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The molecular formula of 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is C16H9Br2NO3.
What is the molecular weight of 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The molecular weight of 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is 420.89 g/mol.
Where can I buy 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
You can request a quote for 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-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-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-Dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.