![2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione structure](/static/products/722/72201-38-8.png)
2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione
TL;DR: 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione (CAS 72201-38-8) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione
Also Known As: 2-acetyl-5-(2-phenylethenyl)cyclohexane-1,3-dione, 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 2.4532 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 510.18484 |
Chemical Identifiers
| CAS Number | 72201-38-8 |
|---|---|
| SMILES | CC(=O)C1C(=O)CC(CC1=O)/C=C/C2=CC=CC=C2 |
Product Overview
2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione (CAS 72201-38-8), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione.
Chemical Property Profile of 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione
Property Insights of 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione
The XLogP value of 2.4532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 51.21 Ų, 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione 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-[(E)-2-phenylethenyl]cyclohexane-1,3-dione?
The CAS number of 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione is 72201-38-8.
What is the molecular formula of 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione?
The molecular formula of 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione is C16H16O3.
What is the molecular weight of 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione?
The molecular weight of 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione is 256.11 g/mol.
Where can I buy 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione?
You can request a quote for 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-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 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-5-[(E)-2-phenylethenyl]cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.