Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate
TL;DR: Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate (CAS 101929-89-9) is a chemical compound with molecular formula C18H18F3NO5 and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pentanoate
Also Known As: Poppenate-methyl, TROPHY, CROP DESTRUCT, POPPENATE-METHYL (PROPOSED), Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate
| Molecular Formula | C18H18F3NO5 |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 385.1137 |
| Heavy Atoms | 27 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 101929-89-9 |
|---|---|
| SMILES | CC(C(CC(=O)OC)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F |
| InChIKey | NMNIAXSDJGZKKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate (CAS 101929-89-9), with molecular formula C18H18F3NO5 and molecular weight 385.11 g/mol. IUPAC: methyl 3-hydroxy-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pentanoate.
Chemical Property Profile of Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate
Property Insights of Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate
The XLogP value of 3.2 indicates that Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate. Following Lipinski's Rule of Five, Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate has 1 hydrogen bond donor(s) and 9 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 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate?
The CAS number of Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate is 101929-89-9.
What is the molecular formula of Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate?
The molecular formula of Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate is C18H18F3NO5.
What is the molecular weight of Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate?
The molecular weight of Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate is 385.11 g/mol.
Where can I buy Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate?
You can request a quote for Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.