1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile
TL;DR: 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile (CAS 302589-34-0) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(cyanomethyl)-4,5-dimethoxyphenyl]cyclopentane-1-carbonitrile
Also Known As: 1-(2-(cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile, 1-[2-(cyanomethyl)-4,5-dimethoxyphenyl]cyclopentane-1-carbonitrile, 1-[2-(cyanomethyl)-4,5-dimethoxyphenyl]cyclopentanecarbonitrile
| Molecular Formula | C16H18N2O2 |
|---|---|
| Molecular Weight | 270.14 g/mol |
| LogP | 3.10526 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.13684 |
| Heavy Atoms | 20 |
| Complexity | 575.3653 |
Chemical Identifiers
| CAS Number | 302589-34-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC#N)C2(CCCC2)C#N)OC |
Product Overview
1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile (CAS 302589-34-0), with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol. IUPAC: 1-[2-(cyanomethyl)-4,5-dimethoxyphenyl]cyclopentane-1-carbonitrile.
Chemical Property Profile of 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile
Property Insights of 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile
The XLogP value of 3.10526 indicates that 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile 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 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile. Following Lipinski's Rule of Five, 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile 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 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile?
The CAS number of 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile is 302589-34-0.
What is the molecular formula of 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile?
The molecular formula of 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile is C16H18N2O2.
What is the molecular weight of 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile?
The molecular weight of 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile is 270.14 g/mol.
Where can I buy 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile?
You can request a quote for 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Cyanomethyl)-4,5-dimethoxyphenyl)cyclopentanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.