4-Bromo-2,2-diphenylbutyronitrile
TL;DR: 4-Bromo-2,2-diphenylbutyronitrile (CAS 39186-58-8) is a chemical compound with molecular formula C16H14BrN and molecular weight 299.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,2-diphenylbutanenitrile
Also Known As: 4-Bromo-2,2-diphenylbutyronitrile, 4-Bromo-2,2-diphenylbutanenitrile, 2,2-Diphenyl-4-bromobutyronitrile, Diphenoxylate EP Impurity C, Butyronitrile,2-diphenyl-
| Molecular Formula | C16H14BrN |
|---|---|
| Molecular Weight | 299.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.03094 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 39186-58-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2 |
| InChIKey | IGYSFJHVFHNOEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2,2-diphenylbutyronitrile (CAS 39186-58-8), with molecular formula C16H14BrN and molecular weight 299.03 g/mol. IUPAC: 4-bromo-2,2-diphenylbutanenitrile.
Chemical Property Profile of 4-Bromo-2,2-diphenylbutyronitrile
Property Insights of 4-Bromo-2,2-diphenylbutyronitrile
The XLogP value of 4.2 indicates that 4-Bromo-2,2-diphenylbutyronitrile 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-Bromo-2,2-diphenylbutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,2-diphenylbutyronitrile 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-Bromo-2,2-diphenylbutyronitrile?
The CAS number of 4-Bromo-2,2-diphenylbutyronitrile is 39186-58-8.
What is the molecular formula of 4-Bromo-2,2-diphenylbutyronitrile?
The molecular formula of 4-Bromo-2,2-diphenylbutyronitrile is C16H14BrN.
What is the molecular weight of 4-Bromo-2,2-diphenylbutyronitrile?
The molecular weight of 4-Bromo-2,2-diphenylbutyronitrile is 299.03 g/mol.
Where can I buy 4-Bromo-2,2-diphenylbutyronitrile?
You can request a quote for 4-Bromo-2,2-diphenylbutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,2-diphenylbutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,2-diphenylbutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.