4,4-二苯基丁腈
TL;DR: 4,4-二苯基丁腈 (CAS 22156-48-5) 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.
4,4-二苯基丁腈
4,4-diphenylbutanenitrile
Also Known As: 4,4-diphenylbutanenitrile, 4,4-Diphenylbutyronitrile, gamma-Phenylbenzenebutanenitrile, Benzenebutanenitrile, g-phenyl-, Benzenebutanenitrile,g-phenyl
| Molecular Formula | C16H15N |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.12045 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 22156-48-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCC#N)C2=CC=CC=C2 |
| InChIKey | JYHNHWMZIXPAEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-二苯基丁腈 (CAS 22156-48-5), with molecular formula C16H15N and molecular weight 221.12 g/mol. IUPAC: 4,4-diphenylbutanenitrile.
Chemical Property Profile of 4,4-二苯基丁腈
Property Insights of 4,4-二苯基丁腈
The XLogP value of 3.7 indicates that 4,4-二苯基丁腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4,4-二苯基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-二苯基丁腈 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 4,4-二苯基丁腈?
The CAS number of 4,4-二苯基丁腈 is 22156-48-5.
What is the molecular formula of 4,4-二苯基丁腈?
The molecular formula of 4,4-二苯基丁腈 is C16H15N.
What is the molecular weight of 4,4-二苯基丁腈?
The molecular weight of 4,4-二苯基丁腈 is 221.12 g/mol.
Where can I buy 4,4-二苯基丁腈?
You can request a quote for 4,4-二苯基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-二苯基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4,4-二苯基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.