1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
TL;DR: 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 71712-85-1) is a chemical compound with molecular formula C12H11F3O3 and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
Also Known As: 1-(4-ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione, 2-Methoxy-4-methylpyridine, TOS-BB-0663, 1-(4-Ethoxyphenyl)-4,4,4-trifluoro-1,3-butanedione, 8636AE
| Molecular Formula | C12H11F3O3 |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.7895 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.06604 |
| Heavy Atoms | 18 |
| Complexity | 434.876 |
Chemical Identifiers
| CAS Number | 71712-85-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F |
Product Overview
1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 71712-85-1), with molecular formula C12H11F3O3 and molecular weight 260.07 g/mol. IUPAC: 1-(4-ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione.
Chemical Property Profile of 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
Property Insights of 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
The XLogP value of 2.7895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-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 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione?
The CAS number of 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione is 71712-85-1.
What is the molecular formula of 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione?
The molecular formula of 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione is C12H11F3O3.
What is the molecular weight of 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione?
The molecular weight of 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione is 260.07 g/mol.
Where can I buy 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione?
You can request a quote for 1-(4-Ethoxyphenyl)-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-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.