1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione
TL;DR: 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione (CAS 306935-39-7) is a chemical compound with molecular formula C11H7F3O4 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione
Also Known As: 1-(1,3-benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione, Maybridge1_005379, 1-(benzo[d][1,3]dioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione, 1-(2H-1,3-benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione, 1-(1,3-Benzodioxol-5-yl)-2-trifluoroacetylethanone
| Molecular Formula | C11H7F3O4 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 2.1195 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.02963 |
| Heavy Atoms | 18 |
| Complexity | 507.50006 |
Chemical Identifiers
| CAS Number | 306935-39-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CC(=O)C(F)(F)F |
Product Overview
1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione (CAS 306935-39-7), with molecular formula C11H7F3O4 and molecular weight 260.03 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione.
Chemical Property Profile of 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione
Property Insights of 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione
The XLogP value of 2.1195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-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 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione?
The CAS number of 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione is 306935-39-7.
What is the molecular formula of 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione?
The molecular formula of 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione is C11H7F3O4.
What is the molecular weight of 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione?
The molecular weight of 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione is 260.03 g/mol.
Where can I buy 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione?
You can request a quote for 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-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 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2H-1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.