Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl-
TL;DR: Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- (CAS 155683-53-7) is a chemical compound with molecular formula C13H17N and molecular weight 187.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethylphenyl)-2,2-dimethylpropanenitrile
Also Known As: floral nitrile, 3-(4-ethylphenyl)-2,2-dimethylpropanenitrile, Benzenepropanenitrile,4-ethyl-.alpha.,.alpha.-dimethyl-, Benzenepropanenitrile,4-ethyl-a,a-dimethyl-, Benzenepropanenitrile,4-ethyl-a,a-dimethyl
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 155683-53-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CC(C)(C)C#N |
| InChIKey | NWMCCMGWYCKNJR-UHFFFAOYSA-N |
Product Overview
Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- (CAS 155683-53-7), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: 3-(4-ethylphenyl)-2,2-dimethylpropanenitrile.
Chemical Property Profile of Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl-
Property Insights of Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl-
The XLogP value of 3.6 indicates that Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- has 0 hydrogen bond donor(s) and 1 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 Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl-?
The CAS number of Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- is 155683-53-7.
What is the molecular formula of Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl-?
The molecular formula of Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- is C13H17N.
What is the molecular weight of Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl-?
The molecular weight of Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- is 187.14 g/mol.
Where can I buy Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl-?
You can request a quote for Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.