4-Phenyl-4-cyclopentene-1,3-dione
TL;DR: 4-Phenyl-4-cyclopentene-1,3-dione (CAS 51306-96-8) is a chemical compound with molecular formula C11H8O2 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylcyclopent-4-ene-1,3-dione
Also Known As: 4-Phenyl-4-cyclopentene-1,3-dione, 4-phenylcyclopent-4-ene-1,3-dione, 1-Phenyl-3,5-dioxycyclopenten, 4-Cyclopentene-1,3-dione, 4-phenyl-, 4-Cyclopentene-1,3-dione,4-phenyl
| Molecular Formula | C11H8O2 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.05243 |
| Heavy Atoms | 13 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 51306-96-8 |
|---|---|
| SMILES | C1C(=O)C=C(C1=O)C2=CC=CC=C2 |
| InChIKey | QITPWMNZOAJALK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenyl-4-cyclopentene-1,3-dione (CAS 51306-96-8), with molecular formula C11H8O2 and molecular weight 172.05 g/mol. IUPAC: 4-phenylcyclopent-4-ene-1,3-dione.
Chemical Property Profile of 4-Phenyl-4-cyclopentene-1,3-dione
Property Insights of 4-Phenyl-4-cyclopentene-1,3-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-4-cyclopentene-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 4-Phenyl-4-cyclopentene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-4-cyclopentene-1,3-dione has 0 hydrogen bond donor(s) and 2 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-4-cyclopentene-1,3-dione?
The CAS number of 4-Phenyl-4-cyclopentene-1,3-dione is 51306-96-8.
What is the molecular formula of 4-Phenyl-4-cyclopentene-1,3-dione?
The molecular formula of 4-Phenyl-4-cyclopentene-1,3-dione is C11H8O2.
What is the molecular weight of 4-Phenyl-4-cyclopentene-1,3-dione?
The molecular weight of 4-Phenyl-4-cyclopentene-1,3-dione is 172.05 g/mol.
Where can I buy 4-Phenyl-4-cyclopentene-1,3-dione?
You can request a quote for 4-Phenyl-4-cyclopentene-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-4-cyclopentene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-4-cyclopentene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.