4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile
TL;DR: 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile (CAS 10469-27-9) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-(2-hydroxyethyl)-2-phenylbutanenitrile
Also Known As: 4-hydroxy-2-(2-hydroxyethyl)-2-phenylbutanenitrile, 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile, alpha,alpha-Bis(2-hydroxyethyl)benzeneacetonitrile, Benzeneacetonitrile,a,a-bis(2-hydroxyethyl)-, A-Bis(2-hydroxyethyl)benzeneacetonitrile
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 10469-27-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCO)(CCO)C#N |
| InChIKey | UOZFONUAKNTHHC-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile (CAS 10469-27-9), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 4-hydroxy-2-(2-hydroxyethyl)-2-phenylbutanenitrile.
Chemical Property Profile of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile
Property Insights of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile. Following Lipinski's Rule of Five, 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile has 2 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 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile?
The CAS number of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile is 10469-27-9.
What is the molecular formula of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile?
The molecular formula of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile is C12H15NO2.
What is the molecular weight of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile?
The molecular weight of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile is 205.11 g/mol.
Where can I buy 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile?
You can request a quote for 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.