![2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile structure](/static/products/6777/677749-56-3.webp)
2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile
TL;DR: 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile (CAS 677749-56-3) is a chemical compound with molecular formula C19H8F9N3O and molecular weight 465.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile
Also Known As: 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile, 5N-039, 2-[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile
| Molecular Formula | C19H8F9N3O |
|---|---|
| Molecular Weight | 465.05 g/mol |
| LogP | 6.22148 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.05237 |
| Heavy Atoms | 32 |
| Complexity | 1176.5787 |
Chemical Identifiers
| CAS Number | 677749-56-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F)OC(F)(F)F |
Product Overview
2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile (CAS 677749-56-3), with molecular formula C19H8F9N3O and molecular weight 465.05 g/mol. IUPAC: 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile.
Chemical Property Profile of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile
Property Insights of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile
The XLogP value of 6.22148 indicates that 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile?
The CAS number of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile is 677749-56-3.
What is the molecular formula of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile?
The molecular formula of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile is C19H8F9N3O.
What is the molecular weight of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile?
The molecular weight of 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile is 465.05 g/mol.
Where can I buy 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile?
You can request a quote for 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.