![2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile structure](/static/products/4780/478043-29-7.webp)
2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile
TL;DR: 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile (CAS 478043-29-7) is a chemical compound with molecular formula C18H8BrF6N3 and molecular weight 458.98 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-bromophenyl)acetonitrile
Also Known As: 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile, 4N-046, 2-[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile, 1,8-Naphthyridine-2-acetonitrile, alpha-(4-bromophenyl)-5,7-bis(trifluoromethyl)- (9CI)
| Molecular Formula | C18H8BrF6N3 |
|---|---|
| Molecular Weight | 458.98 g/mol |
| LogP | 6.08538 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.9806 |
| Heavy Atoms | 28 |
| Complexity | 1068.0918 |
Chemical Identifiers
| CAS Number | 478043-29-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F)Br |
Product Overview
2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile (CAS 478043-29-7), with molecular formula C18H8BrF6N3 and molecular weight 458.98 g/mol. IUPAC: 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile.
Chemical Property Profile of 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile
Property Insights of 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile
The XLogP value of 6.08538 indicates that 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)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-bromophenyl)acetonitrile has 0 hydrogen bond donor(s) and 3 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-bromophenyl)acetonitrile?
The CAS number of 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile is 478043-29-7.
What is the molecular formula of 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile?
The molecular formula of 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile is C18H8BrF6N3.
What is the molecular weight of 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile?
The molecular weight of 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile is 458.98 g/mol.
Where can I buy 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile?
You can request a quote for 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)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-bromophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-bromophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.