(1-Phenylcyclopentyl)acetonitrile
TL;DR: (1-Phenylcyclopentyl)acetonitrile (CAS 61827-87-0) is a chemical compound with molecular formula C13H15N and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenylcyclopentyl)acetonitrile
Also Known As: 2-(1-phenylcyclopentyl)acetonitrile, (1-phenylcyclopentyl)acetonitrile, 1-Phenylcyclopentaneacetonitrile, Cyclopentaneacetonitrile,1-phenyl-, (1-phenyl-cyclopentyl)-acetonitrile
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 61827-87-0 |
|---|---|
| SMILES | C1CCC(C1)(CC#N)C2=CC=CC=C2 |
| InChIKey | MSILGXYVRBMZJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Phenylcyclopentyl)acetonitrile (CAS 61827-87-0), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 2-(1-phenylcyclopentyl)acetonitrile.
Chemical Property Profile of (1-Phenylcyclopentyl)acetonitrile
Property Insights of (1-Phenylcyclopentyl)acetonitrile
The XLogP value of 3.6 indicates that (1-Phenylcyclopentyl)acetonitrile 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-Phenylcyclopentyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Phenylcyclopentyl)acetonitrile 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
Frequently Asked Questions
What is the CAS number of (1-Phenylcyclopentyl)acetonitrile?
The CAS number of (1-Phenylcyclopentyl)acetonitrile is 61827-87-0.
What is the molecular formula of (1-Phenylcyclopentyl)acetonitrile?
The molecular formula of (1-Phenylcyclopentyl)acetonitrile is C13H15N.
What is the molecular weight of (1-Phenylcyclopentyl)acetonitrile?
The molecular weight of (1-Phenylcyclopentyl)acetonitrile is 185.12 g/mol.
Where can I buy (1-Phenylcyclopentyl)acetonitrile?
You can request a quote for (1-Phenylcyclopentyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Phenylcyclopentyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1-Phenylcyclopentyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.