4-Phenyl-2,3-dioxo-2-buten-4-olide
TL;DR: 4-Phenyl-2,3-dioxo-2-buten-4-olide (CAS 16416-27-6) is a chemical compound with molecular formula C10H6O4 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyloxolane-2,3,4-trione
Also Known As: 4-Pdob, 5-phenyloxolane-2,3,4-trione, 4-Phenyl-2,3-dioxo-2-buten-4-olide, 2,3,4(5H)-Furantrione, 5-phenyl-, 5-phenylfuran-2,3,4(5H)-trione
| Molecular Formula | C10H6O4 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 0.4227 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02661 |
| Heavy Atoms | 14 |
| Complexity | 407.38998 |
Chemical Identifiers
| CAS Number | 16416-27-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=O)C(=O)C(=O)O2 |
Product Overview
4-Phenyl-2,3-dioxo-2-buten-4-olide (CAS 16416-27-6), with molecular formula C10H6O4 and molecular weight 190.03 g/mol. IUPAC: 5-phenyloxolane-2,3,4-trione.
Chemical Property Profile of 4-Phenyl-2,3-dioxo-2-buten-4-olide
Property Insights of 4-Phenyl-2,3-dioxo-2-buten-4-olide
The XLogP value of 0.4227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-2,3-dioxo-2-buten-4-olide. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-2,3-dioxo-2-buten-4-olide. Following Lipinski's Rule of Five, 4-Phenyl-2,3-dioxo-2-buten-4-olide has 0 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-Phenyl-2,3-dioxo-2-buten-4-olide?
The CAS number of 4-Phenyl-2,3-dioxo-2-buten-4-olide is 16416-27-6.
What is the molecular formula of 4-Phenyl-2,3-dioxo-2-buten-4-olide?
The molecular formula of 4-Phenyl-2,3-dioxo-2-buten-4-olide is C10H6O4.
What is the molecular weight of 4-Phenyl-2,3-dioxo-2-buten-4-olide?
The molecular weight of 4-Phenyl-2,3-dioxo-2-buten-4-olide is 190.03 g/mol.
Where can I buy 4-Phenyl-2,3-dioxo-2-buten-4-olide?
You can request a quote for 4-Phenyl-2,3-dioxo-2-buten-4-olide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-2,3-dioxo-2-buten-4-olide?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-2,3-dioxo-2-buten-4-olide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.