5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-
TL;DR: 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))- (CAS 66176-12-3) is a chemical compound with molecular formula C26H33F3O7 and molecular weight 514.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoate
Also Known As: 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-, 5-HEPTENOIC ACID, 7-(3,5-DIHYDROXY-2-(2-(2-((3-TRIFLUOROMETHYLPHENOXY)METHYL)-1,, methyl (Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoate
| Molecular Formula | C26H33F3O7 |
|---|---|
| Molecular Weight | 514.22 g/mol |
| LogP | 4.031 |
| Topological Polar Surface Area | 94.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 514.21783 |
| Heavy Atoms | 36 |
| Complexity | 909.044 |
Chemical Identifiers
| CAS Number | 66176-12-3 |
|---|---|
| SMILES | COC(=O)CCC/C=C\CC1[C@H](C(CC1O)O)/C=C/C2(OCCO2)COC3=CC=CC(=C3)C(F)(F)F |
Product Overview
5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))- (CAS 66176-12-3), with molecular formula C26H33F3O7 and molecular weight 514.22 g/mol. IUPAC: methyl (Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoate.
Chemical Property Profile of 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-
Property Insights of 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-
The XLogP value of 4.031 indicates that 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-. Following Lipinski's Rule of Five, 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-?
The CAS number of 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))- is 66176-12-3.
What is the molecular formula of 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-?
The molecular formula of 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))- is C26H33F3O7.
What is the molecular weight of 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-?
The molecular weight of 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))- is 514.22 g/mol.
Where can I buy 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-?
You can request a quote for 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-?
Yes, KEHONG BIO provides custom synthesis services for 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.