![7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid structure](/static/products/331/331248-16-9.png)
7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid
TL;DR: 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid (CAS 331248-16-9) is a chemical compound with molecular formula C23H29F3O3 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E,6Z)-7-[3,5-di(propan-2-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-methylocta-2,4,6-trienoic acid
Also Known As: 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid, (2E,4E,6Z)-7-[3,5-Bis(1-methylethyl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-2,4,6-octatrienoic acid, (2E,4E,6Z)-7-[3,5-di(propan-2-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-methylocta-2,4,6-trienoic acid, (2E,4E,6Z)-7-[3,5-dipropan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-octa-2,4,6-trienoic Acid
| Molecular Formula | C23H29F3O3 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 6.8649 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.20688 |
| Heavy Atoms | 29 |
| Complexity | 813.39233 |
Chemical Identifiers
| CAS Number | 331248-16-9 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)/C(=C\C=C\C(=C\C(=O)O)\C)/C)OCC(F)(F)F)C(C)C |
Product Overview
7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid (CAS 331248-16-9), with molecular formula C23H29F3O3 and molecular weight 410.21 g/mol. IUPAC: (2E,4E,6Z)-7-[3,5-di(propan-2-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-methylocta-2,4,6-trienoic acid.
Chemical Property Profile of 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid
Property Insights of 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid
The XLogP value of 6.8649 indicates that 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid?
The CAS number of 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid is 331248-16-9.
What is the molecular formula of 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid?
The molecular formula of 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid is C23H29F3O3.
What is the molecular weight of 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid?
The molecular weight of 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid is 410.21 g/mol.
Where can I buy 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid?
You can request a quote for 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.