2-Acetyl-5-phenyl-1,3-cyclohexanedione
TL;DR: 2-Acetyl-5-phenyl-1,3-cyclohexanedione (CAS 2057-01-4) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-5-phenylcyclohexane-1,3-dione
Also Known As: 2-acetyl-5-phenyl-1,3-cyclohexanedione, 2-acetyl-5-phenylcyclohexane-1,3-dione, 2-acetyl-5-phenyl-cyclohexane-1,3-dione, AB00075713-01
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 1.9074 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 443.61548 |
Chemical Identifiers
| CAS Number | 2057-01-4 |
|---|---|
| SMILES | CC(=O)C1C(=O)CC(CC1=O)C2=CC=CC=C2 |
Product Overview
2-Acetyl-5-phenyl-1,3-cyclohexanedione (CAS 2057-01-4), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: 2-acetyl-5-phenylcyclohexane-1,3-dione.
Chemical Property Profile of 2-Acetyl-5-phenyl-1,3-cyclohexanedione
Property Insights of 2-Acetyl-5-phenyl-1,3-cyclohexanedione
The XLogP value of 1.9074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-5-phenyl-1,3-cyclohexanedione. With a topological polar surface area (TPSA) of 51.21 Ų, 2-Acetyl-5-phenyl-1,3-cyclohexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-5-phenyl-1,3-cyclohexanedione 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 2-Acetyl-5-phenyl-1,3-cyclohexanedione?
The CAS number of 2-Acetyl-5-phenyl-1,3-cyclohexanedione is 2057-01-4.
What is the molecular formula of 2-Acetyl-5-phenyl-1,3-cyclohexanedione?
The molecular formula of 2-Acetyl-5-phenyl-1,3-cyclohexanedione is C14H14O3.
What is the molecular weight of 2-Acetyl-5-phenyl-1,3-cyclohexanedione?
The molecular weight of 2-Acetyl-5-phenyl-1,3-cyclohexanedione is 230.09 g/mol.
Where can I buy 2-Acetyl-5-phenyl-1,3-cyclohexanedione?
You can request a quote for 2-Acetyl-5-phenyl-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-5-phenyl-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-5-phenyl-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.