Bionet1_003648
TL;DR: Bionet1_003648 (CAS 478043-26-4) is a chemical compound with molecular formula C19H11F6N3 and molecular weight 395.09 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-methylphenyl)acetonitrile
Also Known As: Bionet1_003648, 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-methylphenyl)acetonitrile, 2-[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-2-(4-methylphenyl)acetonitrile, 1,8-Naphthyridine-2-acetonitrile, alpha-(4-methylphenyl)-5,7-bis(trifluoromethyl)- (9CI)
| Molecular Formula | C19H11F6N3 |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 5.6313 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.08572 |
| Heavy Atoms | 28 |
| Complexity | 1062.4398 |
Chemical Identifiers
| CAS Number | 478043-26-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F |
Product Overview
Bionet1_003648 (CAS 478043-26-4), with molecular formula C19H11F6N3 and molecular weight 395.09 g/mol. IUPAC: 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-methylphenyl)acetonitrile.
Chemical Property Profile of Bionet1_003648
Property Insights of Bionet1_003648
The XLogP value of 5.6313 indicates that Bionet1_003648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, Bionet1_003648 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003648 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 Bionet1_003648?
The CAS number of Bionet1_003648 is 478043-26-4.
What is the molecular formula of Bionet1_003648?
The molecular formula of Bionet1_003648 is C19H11F6N3.
What is the molecular weight of Bionet1_003648?
The molecular weight of Bionet1_003648 is 395.09 g/mol.
Where can I buy Bionet1_003648?
You can request a quote for Bionet1_003648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003648?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.