3-(4-Nitrophenyl)propionitrile
TL;DR: 3-(4-Nitrophenyl)propionitrile (CAS 53563-09-0) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)propanenitrile
Also Known As: 4-NITROHYDROCINNAMONITRILE, 3-(4-nitrophenyl)propanenitrile, 3-(4-Nitrophenyl)propionitrile, 4-Nitro-benzenepropanenitrile, 4-Nitrobenzenepropionitrile
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 2.05098 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 337.6275 |
Chemical Identifiers
| CAS Number | 53563-09-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC#N)[N+](=O)[O-] |
Product Overview
3-(4-Nitrophenyl)propionitrile (CAS 53563-09-0), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 3-(4-nitrophenyl)propanenitrile.
Chemical Property Profile of 3-(4-Nitrophenyl)propionitrile
Property Insights of 3-(4-Nitrophenyl)propionitrile
The XLogP value of 2.05098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenyl)propionitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)propionitrile. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)propionitrile has 0 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-(4-Nitrophenyl)propionitrile?
The CAS number of 3-(4-Nitrophenyl)propionitrile is 53563-09-0.
What is the molecular formula of 3-(4-Nitrophenyl)propionitrile?
The molecular formula of 3-(4-Nitrophenyl)propionitrile is C9H8N2O2.
What is the molecular weight of 3-(4-Nitrophenyl)propionitrile?
The molecular weight of 3-(4-Nitrophenyl)propionitrile is 176.06 g/mol.
Where can I buy 3-(4-Nitrophenyl)propionitrile?
You can request a quote for 3-(4-Nitrophenyl)propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenyl)propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.