acetonitrile structure](/static/products/261/261633-83-4.png)
[Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile
TL;DR: [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile (CAS 261633-83-4) is a chemical compound with molecular formula C17H17FN2O and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)acetonitrile
Also Known As: [benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile|[Benzyl-(2-hydroxyethyl)-amino]-(4-fluorophenyl)-acetonitrile|2-(benzyl-(2-hydroxyethyl)amino)-2-(4-fluorophenyl)acetonitrile|QNYSAHICBQFYAU-UHFFFAOYSA-N
| Molecular Formula | C17H17FN2O |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 2.88488 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.13248 |
| Heavy Atoms | 21 |
| Complexity | 592.4372 |
Chemical Identifiers
| CAS Number | 261633-83-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCO)C(C#N)C2=CC=C(C=C2)F |
Product Overview
[Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile (CAS 261633-83-4), with molecular formula C17H17FN2O and molecular weight 284.13 g/mol. IUPAC: 2-[benzyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)acetonitrile.
Chemical Property Profile of [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile
Property Insights of [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile
The XLogP value of 2.88488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile. With a topological polar surface area (TPSA) of 47.26 Ų, [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile has 1 hydrogen bond donor(s) and 3 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 [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile?
The CAS number of [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile is 261633-83-4.
What is the molecular formula of [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile?
The molecular formula of [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile is C17H17FN2O.
What is the molecular weight of [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile?
The molecular weight of [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile is 284.13 g/mol.
Where can I buy [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile?
You can request a quote for [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [Benzyl(2-hydroxyethyl)amino](4-fluorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.