1-(4-Aminophenyl)cyclopentanecarbonitrile
TL;DR: 1-(4-Aminophenyl)cyclopentanecarbonitrile (CAS 115279-73-7) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)cyclopentane-1-carbonitrile
Also Known As: 1-(4-aminophenyl)cyclopentanecarbonitrile, 1-(4-aminophenyl)cyclopentane-1-carbonitrile, Cyclopentanecarbonitrile, 1-(4-aminophenyl)-, 1-(4-Amino-phenyl)-cyclopentanecarbonitrile, 1-(4-aminophenyl)-1-cyclopentanecarbonitrile
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 115279-73-7 |
|---|---|
| SMILES | C1CCC(C1)(C#N)C2=CC=C(C=C2)N |
| InChIKey | GIBAIULVBOBDED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Aminophenyl)cyclopentanecarbonitrile (CAS 115279-73-7), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: 1-(4-aminophenyl)cyclopentane-1-carbonitrile.
Chemical Property Profile of 1-(4-Aminophenyl)cyclopentanecarbonitrile
Property Insights of 1-(4-Aminophenyl)cyclopentanecarbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Aminophenyl)cyclopentanecarbonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 1-(4-Aminophenyl)cyclopentanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Aminophenyl)cyclopentanecarbonitrile has 1 hydrogen bond donor(s) and 2 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-(4-Aminophenyl)cyclopentanecarbonitrile?
The CAS number of 1-(4-Aminophenyl)cyclopentanecarbonitrile is 115279-73-7.
What is the molecular formula of 1-(4-Aminophenyl)cyclopentanecarbonitrile?
The molecular formula of 1-(4-Aminophenyl)cyclopentanecarbonitrile is C12H14N2.
What is the molecular weight of 1-(4-Aminophenyl)cyclopentanecarbonitrile?
The molecular weight of 1-(4-Aminophenyl)cyclopentanecarbonitrile is 186.12 g/mol.
Where can I buy 1-(4-Aminophenyl)cyclopentanecarbonitrile?
You can request a quote for 1-(4-Aminophenyl)cyclopentanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Aminophenyl)cyclopentanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Aminophenyl)cyclopentanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.