![Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate structure](/static/products/6802/680215-99-0.webp)
Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate
TL;DR: Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate (CAS 680215-99-0) is a chemical compound with molecular formula C19H20F6N2O3 and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]octanoate
Also Known As: methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate, methyl 8-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]octanoate, METHYL 8-(3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOL-5-YL)OCTANOATE
| Molecular Formula | C19H20F6N2O3 |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 5.8303 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.13782 |
| Heavy Atoms | 30 |
| Complexity | 813.27576 |
Chemical Identifiers
| CAS Number | 680215-99-0 |
|---|---|
| SMILES | COC(=O)CCCCCCCC1=NC(=NO1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate (CAS 680215-99-0), with molecular formula C19H20F6N2O3 and molecular weight 438.14 g/mol. IUPAC: methyl 8-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]octanoate.
Chemical Property Profile of Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate
Property Insights of Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate
The XLogP value of 5.8303 indicates that Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate. Following Lipinski's Rule of Five, Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate?
The CAS number of Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate is 680215-99-0.
What is the molecular formula of Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate?
The molecular formula of Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate is C19H20F6N2O3.
What is the molecular weight of Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate?
The molecular weight of Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate is 438.14 g/mol.
Where can I buy Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate?
You can request a quote for Methyl 8-{3-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8-{3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.