(1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-
TL;DR: (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl- (CAS 58743-76-3) is a chemical compound with molecular formula C16H15N and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-propylphenyl)benzonitrile
Also Known As: 4-Propyl-4'-cyanobiphenyl, 4-Cyano-4'-propylbiphenyl, 4'-Propyl-[1,1'-biphenyl]-4-carbonitrile, 4-(4-propylphenyl)benzonitrile, [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-
| Molecular Formula | C16H15N |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.12045 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 58743-76-3 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | XFMPTZWVMVMELB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Biphenyl)-4-carbonitrile, 4'-propyl- (CAS 58743-76-3), with molecular formula C16H15N and molecular weight 221.12 g/mol. IUPAC: 4-(4-propylphenyl)benzonitrile.
Chemical Property Profile of (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-
Property Insights of (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-
The XLogP value of 4.6 indicates that (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl- 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'-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl- 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'-propyl-?
The CAS number of (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl- is 58743-76-3.
What is the molecular formula of (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-?
The molecular formula of (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl- is C16H15N.
What is the molecular weight of (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-?
The molecular weight of (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl- is 221.12 g/mol.
Where can I buy (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl-?
You can request a quote for (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl- 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'-propyl-?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-4-carbonitrile, 4'-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.