Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester
TL;DR: Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester (CAS 101929-87-7) is a chemical compound with molecular formula C18H16F3NO5 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pentanoate
Also Known As: Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester, Methyl 3-oxo-4-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]pentanoate, methyl 4-[4-(5-trifluoromethylpyridyloxy)phenoxy]-3-oxopentanoate, Pentanoic acid,3-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester, Methyl 3-oxo-4-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)pentanoate
| Molecular Formula | C18H16F3NO5 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.09805 |
| Heavy Atoms | 27 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 101929-87-7 |
|---|---|
| SMILES | CC(C(=O)CC(=O)OC)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F |
| InChIKey | AUEXCDGCLRXYJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester (CAS 101929-87-7), with molecular formula C18H16F3NO5 and molecular weight 383.10 g/mol. IUPAC: methyl 3-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pentanoate.
Chemical Property Profile of Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester
Property Insights of Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester
The XLogP value of 3.7 indicates that Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester. Following Lipinski's Rule of Five, Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester has 0 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 Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester?
The CAS number of Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester is 101929-87-7.
What is the molecular formula of Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester?
The molecular formula of Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester is C18H16F3NO5.
What is the molecular weight of Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester?
The molecular weight of Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester is 383.10 g/mol.
Where can I buy Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester?
You can request a quote for Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 3-oxo-4-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.