2,2-Dibenzylpropanedinitrile
TL;DR: 2,2-Dibenzylpropanedinitrile (CAS 3779-31-5) is a chemical compound with molecular formula C17H14N2 and molecular weight 246.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibenzylpropanedinitrile
Also Known As: 2,2-dibenzylpropanedinitrile, Dibenzylmalononitrile, dibenzylpropanedinitrile, 2,2-dibenzylmalononitrile, Maybridge4_002869
| Molecular Formula | C17H14N2 |
|---|---|
| Molecular Weight | 246.12 g/mol |
| LogP | 3.50536 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.11569 |
| Heavy Atoms | 19 |
| Complexity | 545.7055 |
Chemical Identifiers
| CAS Number | 3779-31-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C#N)C#N |
Product Overview
2,2-Dibenzylpropanedinitrile (CAS 3779-31-5), with molecular formula C17H14N2 and molecular weight 246.12 g/mol. IUPAC: 2,2-dibenzylpropanedinitrile.
Chemical Property Profile of 2,2-Dibenzylpropanedinitrile
Property Insights of 2,2-Dibenzylpropanedinitrile
The XLogP value of 3.50536 indicates that 2,2-Dibenzylpropanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 2,2-Dibenzylpropanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dibenzylpropanedinitrile 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 2,2-Dibenzylpropanedinitrile?
The CAS number of 2,2-Dibenzylpropanedinitrile is 3779-31-5.
What is the molecular formula of 2,2-Dibenzylpropanedinitrile?
The molecular formula of 2,2-Dibenzylpropanedinitrile is C17H14N2.
What is the molecular weight of 2,2-Dibenzylpropanedinitrile?
The molecular weight of 2,2-Dibenzylpropanedinitrile is 246.12 g/mol.
Where can I buy 2,2-Dibenzylpropanedinitrile?
You can request a quote for 2,2-Dibenzylpropanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dibenzylpropanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibenzylpropanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.