2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate
TL;DR: 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate (CAS 14025-74-2) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanopropan-2-yl 2-methyl-3-phenylpropanoate
Also Known As: 2-cyanopropan-2-yl 2-methyl-3-phenylpropanoate, 1-Cyano-1-methylethyl 2-methyl-3-phenylpropanoate, 1-Cyano-1-methylethyl 2-methyl-3-phenylpropanoate #, Hydrocinnamic acid, .alpha.-methyl-, ester with 2-methyllactonitrile, 2-Methyl-3-phenylpropionic acid 1-cyano-1-methylethyl ester
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 14025-74-2 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C(=O)OC(C)(C)C#N |
| InChIKey | XEDVWNPHTBYLAR-UHFFFAOYSA-N |
Product Overview
2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate (CAS 14025-74-2), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: 2-cyanopropan-2-yl 2-methyl-3-phenylpropanoate.
Chemical Property Profile of 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate
Property Insights of 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate
The XLogP value of 3.0 indicates that 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate 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 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate?
The CAS number of 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate is 14025-74-2.
What is the molecular formula of 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate?
The molecular formula of 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate is C14H17NO2.
What is the molecular weight of 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate?
The molecular weight of 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate is 231.13 g/mol.
Where can I buy 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate?
You can request a quote for 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanopropan-2-yl 2-methyl-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.