Cyclopentylidenephenylacetonitrile
TL;DR: Cyclopentylidenephenylacetonitrile (CAS 21713-75-7) is a chemical compound with molecular formula C13H13N and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclopentylidene-2-phenylacetonitrile
Also Known As: Cyclopentylidenephenylacetonitrile, 2-cyclopentylidene-2-phenylacetonitrile, Cyclopentylidene(phenyl)acetonitrile, cyclopentylidene-phenyl-acetonitrile, Benzeneacetonitrile, a-cyclopentylidene-
| Molecular Formula | C13H13N |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.1048 |
| Heavy Atoms | 14 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 21713-75-7 |
|---|---|
| SMILES | C1CCC(=C(C#N)C2=CC=CC=C2)C1 |
| InChIKey | OMNFRAFCXNVDLP-UHFFFAOYSA-N |
Product Overview
Cyclopentylidenephenylacetonitrile (CAS 21713-75-7), with molecular formula C13H13N and molecular weight 183.10 g/mol. IUPAC: 2-cyclopentylidene-2-phenylacetonitrile.
Chemical Property Profile of Cyclopentylidenephenylacetonitrile
Property Insights of Cyclopentylidenephenylacetonitrile
The XLogP value of 3.1 indicates that Cyclopentylidenephenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Cyclopentylidenephenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentylidenephenylacetonitrile 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 Cyclopentylidenephenylacetonitrile?
The CAS number of Cyclopentylidenephenylacetonitrile is 21713-75-7.
What is the molecular formula of Cyclopentylidenephenylacetonitrile?
The molecular formula of Cyclopentylidenephenylacetonitrile is C13H13N.
What is the molecular weight of Cyclopentylidenephenylacetonitrile?
The molecular weight of Cyclopentylidenephenylacetonitrile is 183.10 g/mol.
Where can I buy Cyclopentylidenephenylacetonitrile?
You can request a quote for Cyclopentylidenephenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentylidenephenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentylidenephenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.