![Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate structure](/static/products/6802/680216-05-1.webp)
Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate
TL;DR: Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate (CAS 680216-05-1) is a chemical compound with molecular formula C18H21F3N2O4 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate
Also Known As: 4-(pyrrolidin-1-ylmethyl)benzonitrile, methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate, Methyl 8-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)octanoate, methyl 8-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}octanoate, 1,2,4-Oxadiazole-5-octanoicacid, 3-[4-(trifluoromethoxy)phenyl]-, methyl ester
| Molecular Formula | C18H21F3N2O4 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 4.6913 |
| Topological Polar Surface Area | 74.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 386.14536 |
| Heavy Atoms | 27 |
| Complexity | 714.14197 |
Chemical Identifiers
| CAS Number | 680216-05-1 |
|---|---|
| SMILES | COC(=O)CCCCCCCC1=NC(=NO1)C2=CC=C(C=C2)OC(F)(F)F |
Product Overview
Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate (CAS 680216-05-1), with molecular formula C18H21F3N2O4 and molecular weight 386.15 g/mol. IUPAC: methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate.
Chemical Property Profile of Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate
Property Insights of Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate
The XLogP value of 4.6913 indicates that Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate. Following Lipinski's Rule of Five, Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate has 0 hydrogen bond donor(s) and 6 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 Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate?
The CAS number of Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate is 680216-05-1.
What is the molecular formula of Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate?
The molecular formula of Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate is C18H21F3N2O4.
What is the molecular weight of Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate?
The molecular weight of Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate is 386.15 g/mol.
Where can I buy Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate?
You can request a quote for Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.