2-(4-Methoxyphenyl)-2-methylpentanenitrile
TL;DR: 2-(4-Methoxyphenyl)-2-methylpentanenitrile (CAS 5424-57-7) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-2-methylpentanenitrile
Also Known As: 2-(4-methoxyphenyl)-2-methylpentanenitrile, Benzeneacetonitrile,4-methoxy-a-methyl-a-propyl, Benzeneacetonitrile,4-methoxy-a-methyl-a-propyl-
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 5424-57-7 |
|---|---|
| SMILES | CCCC(C)(C#N)C1=CC=C(C=C1)OC |
| InChIKey | YORVPRRRMBFOER-UHFFFAOYSA-N |
Product Overview
2-(4-Methoxyphenyl)-2-methylpentanenitrile (CAS 5424-57-7), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: 2-(4-methoxyphenyl)-2-methylpentanenitrile.
Chemical Property Profile of 2-(4-Methoxyphenyl)-2-methylpentanenitrile
Property Insights of 2-(4-Methoxyphenyl)-2-methylpentanenitrile
The XLogP value of 3.4 indicates that 2-(4-Methoxyphenyl)-2-methylpentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(4-Methoxyphenyl)-2-methylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-2-methylpentanenitrile has 0 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-(4-Methoxyphenyl)-2-methylpentanenitrile?
The CAS number of 2-(4-Methoxyphenyl)-2-methylpentanenitrile is 5424-57-7.
What is the molecular formula of 2-(4-Methoxyphenyl)-2-methylpentanenitrile?
The molecular formula of 2-(4-Methoxyphenyl)-2-methylpentanenitrile is C13H17NO.
What is the molecular weight of 2-(4-Methoxyphenyl)-2-methylpentanenitrile?
The molecular weight of 2-(4-Methoxyphenyl)-2-methylpentanenitrile is 203.13 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-2-methylpentanenitrile?
You can request a quote for 2-(4-Methoxyphenyl)-2-methylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-2-methylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-2-methylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.