2,3-Diphenylbutanedinitrile
TL;DR: 2,3-Diphenylbutanedinitrile (CAS 5424-86-2) is a chemical compound with molecular formula C16H12N2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diphenylbutanedinitrile
Also Known As: 2,3-diphenylbutanedinitrile, 2,3-diphenylsuccinonitrile, alpha,beta-Dicyanobibenzyl, ?,?-Dicyanobibenzyl, Maybridge1_007919
| Molecular Formula | C16H12N2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10005 |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 5424-86-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C(C#N)C2=CC=CC=C2 |
| InChIKey | KJPHABUGXMBVHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Diphenylbutanedinitrile (CAS 5424-86-2), with molecular formula C16H12N2 and molecular weight 232.10 g/mol. IUPAC: 2,3-diphenylbutanedinitrile.
Chemical Property Profile of 2,3-Diphenylbutanedinitrile
Property Insights of 2,3-Diphenylbutanedinitrile
The XLogP value of 3.0 indicates that 2,3-Diphenylbutanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2,3-Diphenylbutanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Diphenylbutanedinitrile has 0 hydrogen bond donor(s) and 2 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 2,3-Diphenylbutanedinitrile?
The CAS number of 2,3-Diphenylbutanedinitrile is 5424-86-2.
What is the molecular formula of 2,3-Diphenylbutanedinitrile?
The molecular formula of 2,3-Diphenylbutanedinitrile is C16H12N2.
What is the molecular weight of 2,3-Diphenylbutanedinitrile?
The molecular weight of 2,3-Diphenylbutanedinitrile is 232.10 g/mol.
Where can I buy 2,3-Diphenylbutanedinitrile?
You can request a quote for 2,3-Diphenylbutanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diphenylbutanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diphenylbutanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.