(5-Amino-2-fluoro-phenyl)-acetonitrile
TL;DR: (5-Amino-2-fluoro-phenyl)-acetonitrile (CAS 519059-10-0) is a chemical compound with molecular formula C8H7FN2 and molecular weight 150.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-amino-2-fluorophenyl)acetonitrile
Also Known As: (5-Amino-2-fluoro-phenyl)-acetonitrile, 2-(5-amino-2-fluorophenyl)acetonitrile, 5-Amino-2-fluorophenylacetonitrile, (5-Amino-2-fluorophenyl)acetonitrile, 4-(Difluoromethoxy)phenylacetylene
| Molecular Formula | C8H7FN2 |
|---|---|
| Molecular Weight | 150.06 g/mol |
| LogP | 1.47398 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.05933 |
| Heavy Atoms | 11 |
| Complexity | 301.45062 |
Chemical Identifiers
| CAS Number | 519059-10-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)CC#N)F |
Product Overview
(5-Amino-2-fluoro-phenyl)-acetonitrile (CAS 519059-10-0), with molecular formula C8H7FN2 and molecular weight 150.06 g/mol. IUPAC: 2-(5-amino-2-fluorophenyl)acetonitrile.
Chemical Property Profile of (5-Amino-2-fluoro-phenyl)-acetonitrile
Property Insights of (5-Amino-2-fluoro-phenyl)-acetonitrile
The XLogP value of 1.47398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Amino-2-fluoro-phenyl)-acetonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, (5-Amino-2-fluoro-phenyl)-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Amino-2-fluoro-phenyl)-acetonitrile has 1 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 (5-Amino-2-fluoro-phenyl)-acetonitrile?
The CAS number of (5-Amino-2-fluoro-phenyl)-acetonitrile is 519059-10-0.
What is the molecular formula of (5-Amino-2-fluoro-phenyl)-acetonitrile?
The molecular formula of (5-Amino-2-fluoro-phenyl)-acetonitrile is C8H7FN2.
What is the molecular weight of (5-Amino-2-fluoro-phenyl)-acetonitrile?
The molecular weight of (5-Amino-2-fluoro-phenyl)-acetonitrile is 150.06 g/mol.
Where can I buy (5-Amino-2-fluoro-phenyl)-acetonitrile?
You can request a quote for (5-Amino-2-fluoro-phenyl)-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Amino-2-fluoro-phenyl)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5-Amino-2-fluoro-phenyl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.