2-Cyano-2-methyl-3-phenylpropanoic acid
TL;DR: 2-Cyano-2-methyl-3-phenylpropanoic acid (CAS 41864-05-5) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-2-methyl-3-phenylpropanoic acid
Also Known As: 2-cyano-2-methyl-3-phenylpropanoic acid, 2-cyano-2-methyl-3-phenyl-propanoic Acid
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.84358 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 366.62396 |
Chemical Identifiers
| CAS Number | 41864-05-5 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)(C#N)C(=O)O |
Product Overview
2-Cyano-2-methyl-3-phenylpropanoic acid (CAS 41864-05-5), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 2-cyano-2-methyl-3-phenylpropanoic acid.
Chemical Property Profile of 2-Cyano-2-methyl-3-phenylpropanoic acid
Property Insights of 2-Cyano-2-methyl-3-phenylpropanoic acid
The XLogP value of 1.84358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-2-methyl-3-phenylpropanoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-2-methyl-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-Cyano-2-methyl-3-phenylpropanoic acid has 1 hydrogen bond donor(s) and 2 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-Cyano-2-methyl-3-phenylpropanoic acid?
The CAS number of 2-Cyano-2-methyl-3-phenylpropanoic acid is 41864-05-5.
What is the molecular formula of 2-Cyano-2-methyl-3-phenylpropanoic acid?
The molecular formula of 2-Cyano-2-methyl-3-phenylpropanoic acid is C11H11NO2.
What is the molecular weight of 2-Cyano-2-methyl-3-phenylpropanoic acid?
The molecular weight of 2-Cyano-2-methyl-3-phenylpropanoic acid is 189.08 g/mol.
Where can I buy 2-Cyano-2-methyl-3-phenylpropanoic acid?
You can request a quote for 2-Cyano-2-methyl-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-2-methyl-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-2-methyl-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.