2-(4-Hydroxy-3-nitrophenyl)butyronitrile
TL;DR: 2-(4-Hydroxy-3-nitrophenyl)butyronitrile (CAS 51234-22-1) is a chemical compound with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxy-3-nitrophenyl)butanenitrile
Also Known As: 2- butyronitrile, 2-(4-Hydroxy-3-nitrophenyl)butyronitrile, EINECS 257-068-1, 2-(4-hydroxy-3-nitrophenyl)butanenitrile, 4-Hydroxy-3-nitrophenyl-a-methylacetonitrile
| Molecular Formula | C10H10N2O3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 2.31758 |
| Topological Polar Surface Area | 87.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.06914 |
| Heavy Atoms | 15 |
| Complexity | 423.16595 |
Chemical Identifiers
| CAS Number | 51234-22-1 |
|---|---|
| SMILES | CCC(C#N)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
Product Overview
2-(4-Hydroxy-3-nitrophenyl)butyronitrile (CAS 51234-22-1), with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol. IUPAC: 2-(4-hydroxy-3-nitrophenyl)butanenitrile.
Chemical Property Profile of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile
Property Insights of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile
The XLogP value of 2.31758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Hydroxy-3-nitrophenyl)butyronitrile. The TPSA of 87.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Hydroxy-3-nitrophenyl)butyronitrile. Following Lipinski's Rule of Five, 2-(4-Hydroxy-3-nitrophenyl)butyronitrile has 1 hydrogen bond donor(s) and 4 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-(4-Hydroxy-3-nitrophenyl)butyronitrile?
The CAS number of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile is 51234-22-1.
What is the molecular formula of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile?
The molecular formula of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile is C10H10N2O3.
What is the molecular weight of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile?
The molecular weight of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile is 206.07 g/mol.
Where can I buy 2-(4-Hydroxy-3-nitrophenyl)butyronitrile?
You can request a quote for 2-(4-Hydroxy-3-nitrophenyl)butyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Hydroxy-3-nitrophenyl)butyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Hydroxy-3-nitrophenyl)butyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.