1-Phenylcyclopentanecarbonitrile
TL;DR: 1-Phenylcyclopentanecarbonitrile (CAS 77-57-6) is a chemical compound with molecular formula C12H13N and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylcyclopentane-1-carbonitrile
Also Known As: 1-Phenylcyclopentanecarbonitrile, 1-phenylcyclopentane-1-carbonitrile, 1-Phenyl-1-cyclopentanecarbonitrile, 1-Phenylcyclopentanenitrile, Cedran-8-yl acetate
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 77-57-6 |
|---|---|
| SMILES | C1CCC(C1)(C#N)C2=CC=CC=C2 |
| InChIKey | GDXMFFGTPGAGGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylcyclopentanecarbonitrile (CAS 77-57-6), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 1-phenylcyclopentane-1-carbonitrile.
Chemical Property Profile of 1-Phenylcyclopentanecarbonitrile
Property Insights of 1-Phenylcyclopentanecarbonitrile
The XLogP value of 3.0 indicates that 1-Phenylcyclopentanecarbonitrile 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-Phenylcyclopentanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylcyclopentanecarbonitrile 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-Phenylcyclopentanecarbonitrile?
The CAS number of 1-Phenylcyclopentanecarbonitrile is 77-57-6.
What is the molecular formula of 1-Phenylcyclopentanecarbonitrile?
The molecular formula of 1-Phenylcyclopentanecarbonitrile is C12H13N.
What is the molecular weight of 1-Phenylcyclopentanecarbonitrile?
The molecular weight of 1-Phenylcyclopentanecarbonitrile is 171.10 g/mol.
Where can I buy 1-Phenylcyclopentanecarbonitrile?
You can request a quote for 1-Phenylcyclopentanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylcyclopentanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylcyclopentanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.