1-Phenyl-1,2-propanedione
TL;DR: 1-Phenyl-1,2-propanedione (CAS 579-07-7) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpropane-1,2-dione
Also Known As: 1-Phenylpropane-1,2-dione, 1-PHENYL-1,2-PROPANEDIONE, Acetylbenzoyl, Acetyl benzoyl, Benzoylacetyl
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
| Melting Point | < 20 °C |
| Boiling Point | 103.00 to 105.00 °C. @ 14.00 mm Hg |
| Density | 1.096-1.116 |
| Solubility | 2.6 mg/mL at 20 °C |
| Refractive Index | 1.526-1.536 |
Chemical Identifiers
| CAS Number | 579-07-7 |
|---|---|
| SMILES | CC(=O)C(=O)C1=CC=CC=C1 |
| InChIKey | BVQVLAIMHVDZEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-1,2-propanedione (CAS 579-07-7), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 1-phenylpropane-1,2-dione.
Chemical Property Profile of 1-Phenyl-1,2-propanedione
Property Insights of 1-Phenyl-1,2-propanedione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1,2-propanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 1-Phenyl-1,2-propanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-1,2-propanedione 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 1-Phenyl-1,2-propanedione?
The CAS number of 1-Phenyl-1,2-propanedione is 579-07-7.
What is the molecular formula of 1-Phenyl-1,2-propanedione?
The molecular formula of 1-Phenyl-1,2-propanedione is C9H8O2.
What is the molecular weight of 1-Phenyl-1,2-propanedione?
The molecular weight of 1-Phenyl-1,2-propanedione is 148.05 g/mol.
Where can I buy 1-Phenyl-1,2-propanedione?
You can request a quote for 1-Phenyl-1,2-propanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1,2-propanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1,2-propanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.