1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-
TL;DR: 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl- (CAS 77053-97-5) is a chemical compound with molecular formula C22H20O5 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione
Also Known As: 1,3-cyclohexanedione,2-(3-5-phenyl-, 1,3-Cyclohexanedione,2-(3- -5-phenyl-, 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-, 2-(3-(1,3-Benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-1,3-cyclohexanedione, 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione
| Molecular Formula | C22H20O5 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 3.249 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.13107 |
| Heavy Atoms | 27 |
| Complexity | 868.83105 |
Chemical Identifiers
| CAS Number | 77053-97-5 |
|---|---|
| SMILES | C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 |
Product Overview
1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl- (CAS 77053-97-5), with molecular formula C22H20O5 and molecular weight 364.13 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-
Property Insights of 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-
The XLogP value of 3.249 indicates that 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl- has 0 hydrogen bond donor(s) and 5 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 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-?
The CAS number of 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl- is 77053-97-5.
What is the molecular formula of 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-?
The molecular formula of 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl- is C22H20O5.
What is the molecular weight of 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-?
The molecular weight of 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl- is 364.13 g/mol.
Where can I buy 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-?
You can request a quote for 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.