(1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-
TL;DR: (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- (CAS 58743-75-2) is a chemical compound with molecular formula C15H13N and molecular weight 207.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethylphenyl)benzonitrile
Also Known As: 4-Cyano-4'-ethylbiphenyl, 4'-Ethyl-[1,1'-biphenyl]-4-carbonitrile, 4-ethyl-4'-cyanobiphenyl, 4-(4-ethylphenyl)benzonitrile, 4'-ethyl-4-cyanobiphenyl
| Molecular Formula | C15H13N |
|---|---|
| Molecular Weight | 207.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.1048 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 58743-75-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | DLLIPJSMDJCZRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- (CAS 58743-75-2), with molecular formula C15H13N and molecular weight 207.10 g/mol. IUPAC: 4-(4-ethylphenyl)benzonitrile.
Chemical Property Profile of (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-
Property Insights of (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-
The XLogP value of 4.1 indicates that (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- 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 (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-?
The CAS number of (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- is 58743-75-2.
What is the molecular formula of (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-?
The molecular formula of (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- is C15H13N.
What is the molecular weight of (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-?
The molecular weight of (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- is 207.10 g/mol.
Where can I buy (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-?
You can request a quote for (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.