4-(Diphenylamino)benzonitrile
TL;DR: 4-(Diphenylamino)benzonitrile (CAS 20441-00-3) is a chemical compound with molecular formula C19H14N2 and molecular weight 270.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(N-phenylanilino)benzonitrile
Also Known As: 4-(diphenylamino)benzonitrile, Benzonitrile, 4-(diphenylamino)-, 4-(N-phenylanilino)benzonitrile, 4-cyanotriphenylamine, N,N-Dimethyl-L-Valine
| Molecular Formula | C19H14N2 |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | 5.02808 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.1157 |
| Heavy Atoms | 21 |
| Complexity | 701.5796 |
Chemical Identifiers
| CAS Number | 20441-00-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C#N |
Product Overview
4-(Diphenylamino)benzonitrile (CAS 20441-00-3), with molecular formula C19H14N2 and molecular weight 270.12 g/mol. IUPAC: 4-(N-phenylanilino)benzonitrile.
Chemical Property Profile of 4-(Diphenylamino)benzonitrile
Property Insights of 4-(Diphenylamino)benzonitrile
The XLogP value of 5.02808 indicates that 4-(Diphenylamino)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, 4-(Diphenylamino)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diphenylamino)benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Diphenylamino)benzonitrile?
The CAS number of 4-(Diphenylamino)benzonitrile is 20441-00-3.
What is the molecular formula of 4-(Diphenylamino)benzonitrile?
The molecular formula of 4-(Diphenylamino)benzonitrile is C19H14N2.
What is the molecular weight of 4-(Diphenylamino)benzonitrile?
The molecular weight of 4-(Diphenylamino)benzonitrile is 270.12 g/mol.
Where can I buy 4-(Diphenylamino)benzonitrile?
You can request a quote for 4-(Diphenylamino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diphenylamino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diphenylamino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.