![[4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile structure](/static/products/6582/65823-51-0.webp)
[4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile
TL;DR: [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile (CAS 65823-51-0) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile
Also Known As: 2,5-Dipropoxy-1,4-benzenediacetonitrile, [4-(cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile, 2-[4-(cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile, AO-289/15480023, 2,2'-(2,5-Dipropoxy-1,4-phenylene)diacetonitrile
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 3.39636 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 464.68378 |
Chemical Identifiers
| CAS Number | 65823-51-0 |
|---|---|
| SMILES | CCCOC1=CC(=C(C=C1CC#N)OCCC)CC#N |
Product Overview
[4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile (CAS 65823-51-0), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: 2-[4-(cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile.
Chemical Property Profile of [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile
Property Insights of [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile
The XLogP value of 3.39636 indicates that [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile. Following Lipinski's Rule of Five, [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile has 0 hydrogen bond donor(s) and 4 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 [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile?
The CAS number of [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile is 65823-51-0.
What is the molecular formula of [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile?
The molecular formula of [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile is C16H20N2O2.
What is the molecular weight of [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile?
The molecular weight of [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile is 272.15 g/mol.
Where can I buy [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile?
You can request a quote for [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [4-(Cyanomethyl)-2,5-dipropoxyphenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.