3-(3-Aminophenyl)-3-oxopropanenitrile
TL;DR: 3-(3-Aminophenyl)-3-oxopropanenitrile (CAS 59443-93-5) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-aminophenyl)-3-oxopropanenitrile
Also Known As: 3-(3-aminophenyl)-3-oxopropanenitrile, 3-(3-amino-phenyl)-3-oxo-propionitrile, 3-(3-aminophenyl)-3-oxo-propanenitrile, benzenepropanenitrile, 3-amino-.beta.-oxo-
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 59443-93-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C(=O)CC#N |
| InChIKey | QOYGOPBQZJOKGW-UHFFFAOYSA-N |
Product Overview
3-(3-Aminophenyl)-3-oxopropanenitrile (CAS 59443-93-5), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 3-(3-aminophenyl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(3-Aminophenyl)-3-oxopropanenitrile
Property Insights of 3-(3-Aminophenyl)-3-oxopropanenitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Aminophenyl)-3-oxopropanenitrile. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Aminophenyl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 3-(3-Aminophenyl)-3-oxopropanenitrile 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 3-(3-Aminophenyl)-3-oxopropanenitrile?
The CAS number of 3-(3-Aminophenyl)-3-oxopropanenitrile is 59443-93-5.
What is the molecular formula of 3-(3-Aminophenyl)-3-oxopropanenitrile?
The molecular formula of 3-(3-Aminophenyl)-3-oxopropanenitrile is C9H8N2O.
What is the molecular weight of 3-(3-Aminophenyl)-3-oxopropanenitrile?
The molecular weight of 3-(3-Aminophenyl)-3-oxopropanenitrile is 160.06 g/mol.
Where can I buy 3-(3-Aminophenyl)-3-oxopropanenitrile?
You can request a quote for 3-(3-Aminophenyl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Aminophenyl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Aminophenyl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.