1-(3-Methylphenyl)cyclopentane-1-carbonitrile
TL;DR: 1-(3-Methylphenyl)cyclopentane-1-carbonitrile (CAS 156086-42-9) is a chemical compound with molecular formula C13H15N and molecular weight 185.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methylphenyl)cyclopentane-1-carbonitrile
Also Known As: 1-(3-methylphenyl)cyclopentane-1-carbonitrile, 1-(3-methylphenyl)cyclopentanecarbonitrile
Technical Specifications
| Molecular Formula | C13H15N |
| Molecular Weight | 185.12045 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.12045 Da |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
| SMILES | CC1=CC(=CC=C1)C2(CCCC2)C#N |
| InChIKey | VDHFIIRALXYXKJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Methylphenyl)cyclopentane-1-carbonitrile
Property Insights of 1-(3-Methylphenyl)cyclopentane-1-carbonitrile
The XLogP value of 3.4 indicates that 1-(3-Methylphenyl)cyclopentane-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(3-Methylphenyl)cyclopentane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)cyclopentane-1-carbonitrile has 0 hydrogen bond donor(s) and 1 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-Methylphenyl)cyclopentane-1-carbonitrile?
The CAS number of 1-(3-Methylphenyl)cyclopentane-1-carbonitrile is 156086-42-9.
What is the molecular formula of 1-(3-Methylphenyl)cyclopentane-1-carbonitrile?
The molecular formula of 1-(3-Methylphenyl)cyclopentane-1-carbonitrile is C13H15N.
What is the molecular weight of 1-(3-Methylphenyl)cyclopentane-1-carbonitrile?
The molecular weight of 1-(3-Methylphenyl)cyclopentane-1-carbonitrile is 185.12045 g/mol.
Where can I buy 1-(3-Methylphenyl)cyclopentane-1-carbonitrile?
You can request a quote for 1-(3-Methylphenyl)cyclopentane-1-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Methylphenyl)cyclopentane-1-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-(3-Methylphenyl)cyclopentane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.