1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one
TL;DR: 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one (CAS 161014-23-9) is a chemical compound with molecular formula C13H13F3N2O and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one
Also Known As: 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one, BIM-0004805.P001, 1-butyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one, 1-butyl-5-(trifluoromethyl)-1,4-dihydro-1,6-naphthyridin-4-one
| Molecular Formula | C13H13F3N2O |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 3.2154 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.098 |
| Heavy Atoms | 19 |
| Complexity | 646.3589 |
Chemical Identifiers
| CAS Number | 161014-23-9 |
|---|---|
| SMILES | CCCCN1C=CC(=O)C2=C1C=CN=C2C(F)(F)F |
Product Overview
1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one (CAS 161014-23-9), with molecular formula C13H13F3N2O and molecular weight 270.10 g/mol. IUPAC: 1-butyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one.
Chemical Property Profile of 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one
Property Insights of 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one
The XLogP value of 3.2154 indicates that 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one has 0 hydrogen bond donor(s) and 2 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 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one?
The CAS number of 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one is 161014-23-9.
What is the molecular formula of 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one?
The molecular formula of 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one is C13H13F3N2O.
What is the molecular weight of 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one?
The molecular weight of 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one is 270.10 g/mol.
Where can I buy 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one?
You can request a quote for 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-5-(trifluoromethyl)-1,6-naphthyridin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.