(p-Chlorobenzyl)(phenylazo)malononitrile
TL;DR: (p-Chlorobenzyl)(phenylazo)malononitrile (CAS 4061-71-6) is a chemical compound with molecular formula C16H11ClN4 and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)-phenyldiazenylmethyl]propanedinitrile
Also Known As: (p-Chlorobenzyl)(phenylazo)malononitrile, F 2302, Phenyl-azo-(4'-chlor-benzyl)-malonitril, Phenyl-azo-(4'-chlor-benzyl)-malonitril [German], MALONONITRILE, (p-CHLOROBENZYL)(PHENYLAZO)-
| Molecular Formula | C16H11ClN4 |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.06723 |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 4061-71-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC(C2=CC=C(C=C2)Cl)C(C#N)C#N |
| InChIKey | RRVCDHGNTSXIJI-UHFFFAOYSA-N |
Product Overview
(p-Chlorobenzyl)(phenylazo)malononitrile (CAS 4061-71-6), with molecular formula C16H11ClN4 and molecular weight 294.07 g/mol. IUPAC: 2-[(4-chlorophenyl)-phenyldiazenylmethyl]propanedinitrile.
Chemical Property Profile of (p-Chlorobenzyl)(phenylazo)malononitrile
Property Insights of (p-Chlorobenzyl)(phenylazo)malononitrile
The XLogP value of 4.0 indicates that (p-Chlorobenzyl)(phenylazo)malononitrile 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-Chlorobenzyl)(phenylazo)malononitrile. Following Lipinski's Rule of Five, (p-Chlorobenzyl)(phenylazo)malononitrile 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-Chlorobenzyl)(phenylazo)malononitrile?
The CAS number of (p-Chlorobenzyl)(phenylazo)malononitrile is 4061-71-6.
What is the molecular formula of (p-Chlorobenzyl)(phenylazo)malononitrile?
The molecular formula of (p-Chlorobenzyl)(phenylazo)malononitrile is C16H11ClN4.
What is the molecular weight of (p-Chlorobenzyl)(phenylazo)malononitrile?
The molecular weight of (p-Chlorobenzyl)(phenylazo)malononitrile is 294.07 g/mol.
Where can I buy (p-Chlorobenzyl)(phenylazo)malononitrile?
You can request a quote for (p-Chlorobenzyl)(phenylazo)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (p-Chlorobenzyl)(phenylazo)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (p-Chlorobenzyl)(phenylazo)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.