5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione
TL;DR: 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione (CAS 55579-76-5) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione
Also Known As: 5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione, Maybridge1_003278, 5-(Benzo[d][1,3]dioxol-5-yl)cyclohexane-1,3-dione, 5-(2H-1,3-Benzodioxol-5-Yl)Cyclohexane-1,3-Dione, 5-[3,4-(Methylenedioxy)phenyl]-1,3-cyclohexanedione
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.821 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 476.19287 |
Chemical Identifiers
| CAS Number | 55579-76-5 |
|---|---|
| SMILES | C1C(CC(=O)CC1=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione (CAS 55579-76-5), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione
Property Insights of 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione
The XLogP value of 1.821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 4 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 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione?
The CAS number of 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione is 55579-76-5.
What is the molecular formula of 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione?
The molecular formula of 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione is C13H12O4.
What is the molecular weight of 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione?
The molecular weight of 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione is 232.07 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione?
You can request a quote for 5-(1,3-Benzodioxol-5-yl)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 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-yl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.