Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4
TL;DR: Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4 (CAS 191167-05-2) is a chemical compound with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: Maybridge1_002417, DivK1c_001169, CDS1_000129, BIM-0006484.P001, 5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H8N2O5 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | -0.1528 |
| Topological Polar Surface Area | 115.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.04332 |
| Heavy Atoms | 18 |
| Complexity | 569.09644 |
Chemical Identifiers
| CAS Number | 191167-05-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C2C(=O)NC(=O)NC2=O)O)O |
Product Overview
Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4 (CAS 191167-05-2), with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol. IUPAC: 5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4
Property Insights of Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4
The XLogP value of -0.1528 indicates that Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4. Following Lipinski's Rule of Five, Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4 has 4 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 Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4?
The CAS number of Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4 is 191167-05-2.
What is the molecular formula of Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4?
The molecular formula of Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4 is C11H8N2O5.
What is the molecular weight of Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4?
The molecular weight of Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4 is 248.04 g/mol.
Where can I buy Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4?
You can request a quote for Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4?
Yes, KEHONG BIO provides custom synthesis services for Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.