Benzonitrile, 4-(phenylmethyl)-
TL;DR: Benzonitrile, 4-(phenylmethyl)- (CAS 23450-31-9) is a chemical compound with molecular formula C14H11N and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylbenzonitrile
Also Known As: 4-Benzylbenzonitrile, 4-Benzyl-benzonitril, a-phenyl-p-tolunitrile, Benzonitrile, 4-(phenylmethyl)-, Benzonitrile,4-(phenylmethyl)-
| Molecular Formula | C14H11N |
|---|---|
| Molecular Weight | 193.09 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 | 193.08914 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 23450-31-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)C#N |
| InChIKey | CPRFNWUIJASATH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 4-(phenylmethyl)- (CAS 23450-31-9), with molecular formula C14H11N and molecular weight 193.09 g/mol. IUPAC: 4-benzylbenzonitrile.
Chemical Property Profile of Benzonitrile, 4-(phenylmethyl)-
Property Insights of Benzonitrile, 4-(phenylmethyl)-
The XLogP value of 3.6 indicates that Benzonitrile, 4-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Benzonitrile, 4-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(phenylmethyl)- 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 Benzonitrile, 4-(phenylmethyl)-?
The CAS number of Benzonitrile, 4-(phenylmethyl)- is 23450-31-9.
What is the molecular formula of Benzonitrile, 4-(phenylmethyl)-?
The molecular formula of Benzonitrile, 4-(phenylmethyl)- is C14H11N.
What is the molecular weight of Benzonitrile, 4-(phenylmethyl)-?
The molecular weight of Benzonitrile, 4-(phenylmethyl)- is 193.09 g/mol.
Where can I buy Benzonitrile, 4-(phenylmethyl)-?
You can request a quote for Benzonitrile, 4-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.