![7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid structure](/static/products/1063/106393-80-0.webp)
7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid
TL;DR: 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid (CAS 106393-80-0) is a chemical compound with molecular formula C18H21F3O5 and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]hept-5-enoic acid
Also Known As: Ici 185,282, Ici 185282, ICI185282;ICI 185282, 7-[4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid, 7-[4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]hept-5-enoic acid
| Molecular Formula | C18H21F3O5 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 4.1859 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.1341 |
| Heavy Atoms | 26 |
| Complexity | 629.49774 |
Chemical Identifiers
| CAS Number | 106393-80-0 |
|---|---|
| SMILES | C1C(C(OC(O1)C(F)(F)F)C2=CC=CC=C2O)CC=CCCCC(=O)O |
Product Overview
7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid (CAS 106393-80-0), with molecular formula C18H21F3O5 and molecular weight 374.13 g/mol. IUPAC: 7-[4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]hept-5-enoic acid.
Chemical Property Profile of 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid
Property Insights of 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid
The XLogP value of 4.1859 indicates that 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid. Following Lipinski's Rule of Five, 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid has 2 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 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid?
The CAS number of 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid is 106393-80-0.
What is the molecular formula of 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid?
The molecular formula of 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid is C18H21F3O5.
What is the molecular weight of 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid?
The molecular weight of 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid is 374.13 g/mol.
Where can I buy 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid?
You can request a quote for 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-[4-(2-Hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.