2-Methyl-2-(4-propoxyphenyl)butanedinitrile
TL;DR: 2-Methyl-2-(4-propoxyphenyl)butanedinitrile (CAS 55755-79-8) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(4-propoxyphenyl)butanedinitrile
Also Known As: 2-methyl-2-(4-propoxyphenyl)butanedinitrile, 2-methyl-2-(4-propoxyphenyl)succinonitrile, 2-cyano-1-methyl-1-(4-propoxyphenyl)ethyl cyanide, A1082/0050804
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 3.17036 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 438.7754 |
Chemical Identifiers
| CAS Number | 55755-79-8 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(C)(CC#N)C#N |
Product Overview
2-Methyl-2-(4-propoxyphenyl)butanedinitrile (CAS 55755-79-8), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: 2-methyl-2-(4-propoxyphenyl)butanedinitrile.
Chemical Property Profile of 2-Methyl-2-(4-propoxyphenyl)butanedinitrile
Property Insights of 2-Methyl-2-(4-propoxyphenyl)butanedinitrile
The XLogP value of 3.17036 indicates that 2-Methyl-2-(4-propoxyphenyl)butanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.81 Ų, 2-Methyl-2-(4-propoxyphenyl)butanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-(4-propoxyphenyl)butanedinitrile 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-Methyl-2-(4-propoxyphenyl)butanedinitrile?
The CAS number of 2-Methyl-2-(4-propoxyphenyl)butanedinitrile is 55755-79-8.
What is the molecular formula of 2-Methyl-2-(4-propoxyphenyl)butanedinitrile?
The molecular formula of 2-Methyl-2-(4-propoxyphenyl)butanedinitrile is C14H16N2O.
What is the molecular weight of 2-Methyl-2-(4-propoxyphenyl)butanedinitrile?
The molecular weight of 2-Methyl-2-(4-propoxyphenyl)butanedinitrile is 228.13 g/mol.
Where can I buy 2-Methyl-2-(4-propoxyphenyl)butanedinitrile?
You can request a quote for 2-Methyl-2-(4-propoxyphenyl)butanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(4-propoxyphenyl)butanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(4-propoxyphenyl)butanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.