![4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone structure](/static/products/4617/461706-35-4.webp)
4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone
TL;DR: 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone (CAS 461706-35-4) is a chemical compound with molecular formula C11H8BrNO2 and molecular weight 264.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-bromophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Also Known As: 6-tert-Butyl-2,3-xylenol, 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone, (4Z)-4-(2-Bromobenzylidene)-2-methyl-1,3-oxazol-5(4H)-one, (4Z)-4-[(2-bromophenyl)methylidene]-2-methyl-1,3-oxazol-5-one, 4-[(2-bromophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
| Molecular Formula | C11H8BrNO2 |
|---|---|
| Molecular Weight | 264.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.97385 |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 461706-35-4 |
|---|---|
| SMILES | CC1=NC(=CC2=CC=CC=C2Br)C(=O)O1 |
| InChIKey | AATYJMATKNPXPT-UHFFFAOYSA-N |
Product Overview
4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone (CAS 461706-35-4), with molecular formula C11H8BrNO2 and molecular weight 264.97 g/mol. IUPAC: 4-[(2-bromophenyl)methylidene]-2-methyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone
Property Insights of 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone. With a topological polar surface area (TPSA) of 38.7 Ų, 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone has 0 hydrogen bond donor(s) and 3 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-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone?
The CAS number of 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone is 461706-35-4.
What is the molecular formula of 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone?
The molecular formula of 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone is C11H8BrNO2.
What is the molecular weight of 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone?
The molecular weight of 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone is 264.97 g/mol.
Where can I buy 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone?
You can request a quote for 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Bromophenyl)methylene]-2-methyl-5(4H)-oxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.