Benzyl((o-chlorophenyl)azo)malononitrile
TL;DR: Benzyl((o-chlorophenyl)azo)malononitrile (CAS 3701-13-1) 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-[[(2-chlorophenyl)diazenyl]-phenylmethyl]propanedinitrile
Also Known As: Benzyl((o-chlorophenyl)azo)malononitrile, 2-Chlor-phenyl-azo-benzyl-malonitril, F 2299, 2-Chlor-phenyl-azo-benzyl-malonitril [German], MALONONITRILE, BENZYL((o-CHLOROPHENYL)AZO)-
| 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 | 435.0 |
Chemical Identifiers
| CAS Number | 3701-13-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(C#N)C#N)N=NC2=CC=CC=C2Cl |
| InChIKey | KGSBULLNUYEHCH-UHFFFAOYSA-N |
Product Overview
Benzyl((o-chlorophenyl)azo)malononitrile (CAS 3701-13-1), with molecular formula C16H11ClN4 and molecular weight 294.07 g/mol. IUPAC: 2-[[(2-chlorophenyl)diazenyl]-phenylmethyl]propanedinitrile.
Chemical Property Profile of Benzyl((o-chlorophenyl)azo)malononitrile
Property Insights of Benzyl((o-chlorophenyl)azo)malononitrile
The XLogP value of 4.0 indicates that Benzyl((o-chlorophenyl)azo)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 Benzyl((o-chlorophenyl)azo)malononitrile. Following Lipinski's Rule of Five, Benzyl((o-chlorophenyl)azo)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 Benzyl((o-chlorophenyl)azo)malononitrile?
The CAS number of Benzyl((o-chlorophenyl)azo)malononitrile is 3701-13-1.
What is the molecular formula of Benzyl((o-chlorophenyl)azo)malononitrile?
The molecular formula of Benzyl((o-chlorophenyl)azo)malononitrile is C16H11ClN4.
What is the molecular weight of Benzyl((o-chlorophenyl)azo)malononitrile?
The molecular weight of Benzyl((o-chlorophenyl)azo)malononitrile is 294.07 g/mol.
Where can I buy Benzyl((o-chlorophenyl)azo)malononitrile?
You can request a quote for Benzyl((o-chlorophenyl)azo)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl((o-chlorophenyl)azo)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for Benzyl((o-chlorophenyl)azo)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.