2-Amino-3-fluoro-3-phenylpropanenitrile
TL;DR: 2-Amino-3-fluoro-3-phenylpropanenitrile (CAS 79559-50-5) is a chemical compound with molecular formula C9H9FN2 and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-fluoro-3-phenylpropanenitrile
Also Known As: 2-amino-3-fluoro-3-phenylpropanenitrile, 2-amino-3-fluoro-3-phenyl-propanenitrile
| Molecular Formula | C9H9FN2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.07498 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 79559-50-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(C#N)N)F |
| InChIKey | SUAVDHDWBXVHHY-UHFFFAOYSA-N |
Product Overview
2-Amino-3-fluoro-3-phenylpropanenitrile (CAS 79559-50-5), with molecular formula C9H9FN2 and molecular weight 164.07 g/mol. IUPAC: 2-amino-3-fluoro-3-phenylpropanenitrile.
Chemical Property Profile of 2-Amino-3-fluoro-3-phenylpropanenitrile
Property Insights of 2-Amino-3-fluoro-3-phenylpropanenitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-fluoro-3-phenylpropanenitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Amino-3-fluoro-3-phenylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-3-fluoro-3-phenylpropanenitrile 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 2-Amino-3-fluoro-3-phenylpropanenitrile?
The CAS number of 2-Amino-3-fluoro-3-phenylpropanenitrile is 79559-50-5.
What is the molecular formula of 2-Amino-3-fluoro-3-phenylpropanenitrile?
The molecular formula of 2-Amino-3-fluoro-3-phenylpropanenitrile is C9H9FN2.
What is the molecular weight of 2-Amino-3-fluoro-3-phenylpropanenitrile?
The molecular weight of 2-Amino-3-fluoro-3-phenylpropanenitrile is 164.07 g/mol.
Where can I buy 2-Amino-3-fluoro-3-phenylpropanenitrile?
You can request a quote for 2-Amino-3-fluoro-3-phenylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-fluoro-3-phenylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-fluoro-3-phenylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.