p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-
TL;DR: p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di- (CAS 73940-95-1) is a chemical compound with molecular formula C22H22N4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-[(4-cyanophenyl)methylideneamino]hexyliminomethyl]benzonitrile
Also Known As: NCIOpen2_009717, 4,4'-[1,6-hexanediylbis]bisbenzonitrile, p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-, A,, A'-(hexamethylenedinitrilo)di-p-tolunitrile
| Molecular Formula | C22H22N4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 342.18445 |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 73940-95-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NCCCCCCN=CC2=CC=C(C=C2)C#N)C#N |
| InChIKey | WPRSOPAWUGQYPC-UHFFFAOYSA-N |
Product Overview
p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di- (CAS 73940-95-1), with molecular formula C22H22N4 and molecular weight 342.18 g/mol. IUPAC: 4-[6-[(4-cyanophenyl)methylideneamino]hexyliminomethyl]benzonitrile.
Chemical Property Profile of p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-
Property Insights of p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-
The XLogP value of 3.6 indicates that p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-. Following Lipinski's Rule of Five, p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di- has 0 hydrogen bond donor(s) and 4 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 p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-?
The CAS number of p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di- is 73940-95-1.
What is the molecular formula of p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-?
The molecular formula of p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di- is C22H22N4.
What is the molecular weight of p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-?
The molecular weight of p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di- is 342.18 g/mol.
Where can I buy p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-?
You can request a quote for p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-?
Yes, KEHONG BIO provides custom synthesis services for p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.