2-(4-Methoxyphenyl)pentanenitrile
TL;DR: 2-(4-Methoxyphenyl)pentanenitrile (CAS 648409-06-7) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)pentanenitrile
Also Known As: 2-(4-methoxyphenyl)pentanenitrile, J2.683.835E
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 3.10248 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 310.08878 |
Chemical Identifiers
| CAS Number | 648409-06-7 |
|---|---|
| SMILES | CCCC(C#N)C1=CC=C(C=C1)OC |
Product Overview
2-(4-Methoxyphenyl)pentanenitrile (CAS 648409-06-7), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 2-(4-methoxyphenyl)pentanenitrile.
Chemical Property Profile of 2-(4-Methoxyphenyl)pentanenitrile
Property Insights of 2-(4-Methoxyphenyl)pentanenitrile
The XLogP value of 3.10248 indicates that 2-(4-Methoxyphenyl)pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 2-(4-Methoxyphenyl)pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)pentanenitrile 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)pentanenitrile?
The CAS number of 2-(4-Methoxyphenyl)pentanenitrile is 648409-06-7.
What is the molecular formula of 2-(4-Methoxyphenyl)pentanenitrile?
The molecular formula of 2-(4-Methoxyphenyl)pentanenitrile is C12H15NO.
What is the molecular weight of 2-(4-Methoxyphenyl)pentanenitrile?
The molecular weight of 2-(4-Methoxyphenyl)pentanenitrile is 189.12 g/mol.
Where can I buy 2-(4-Methoxyphenyl)pentanenitrile?
You can request a quote for 2-(4-Methoxyphenyl)pentanenitrile 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)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.