1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile
TL;DR: 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile (CAS 1071365-50-8) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dimethoxyphenyl)cyclopentane-1-carbonitrile
Also Known As: 1-(3,4-dimethoxyphenyl)cyclopentane-1-carbonitrile, 1-(3,4-Dimethoxyphenyl)cyclopentanecarbonitrile, 1-(3,4-dimethoxy-phenyl)-cyclopentanecarbonitrile, 1-cyano-1-(3,4-dimethoxyphenyl)cyclopentane, 1-(3,4-dimethoxyphenyl)-1-cyclopentanecarbonitrile
Technical Specifications
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.12593 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.12593 Da |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
| SMILES | COC1=C(C=C(C=C1)C2(CCCC2)C#N)OC |
| InChIKey | UNNOXLSDQWRFPO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile
Property Insights of 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile 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
What is the CAS number of 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile?
The CAS number of 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile is 1071365-50-8.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile?
The molecular formula of 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile is C14H17NO2.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile?
The molecular weight of 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile is 231.12593 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile?
You can request a quote for 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)cyclopentane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.