2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile
TL;DR: 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile (CAS 439095-07-5) is a chemical compound with molecular formula C15H8Cl2N4O2 and molecular weight 346.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methyl]-2-(3-nitro-2-pyridinyl)propanedinitrile
Also Known As: 2-(2,4-dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile, 2-[(2,4-dichlorophenyl)methyl]-2-(3-nitropyridin-2-yl)propanedinitrile, 2-[(2,4-dichlorophenyl)methyl]-2-(3-nitro-2-pyridyl)propanedinitrile, C15H8Cl2N4O2
| Molecular Formula | C15H8Cl2N4O2 |
|---|---|
| Molecular Weight | 346.00 g/mol |
| LogP | 3.82426 |
| Topological Polar Surface Area | 103.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.00244 |
| Heavy Atoms | 23 |
| Complexity | 841.2859 |
Chemical Identifiers
| CAS Number | 439095-07-5 |
|---|---|
| SMILES | C1=CC(=C(N=C1)C(CC2=C(C=C(C=C2)Cl)Cl)(C#N)C#N)[N+](=O)[O-] |
Product Overview
2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile (CAS 439095-07-5), with molecular formula C15H8Cl2N4O2 and molecular weight 346.00 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methyl]-2-(3-nitro-2-pyridinyl)propanedinitrile.
Chemical Property Profile of 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile
Property Insights of 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile
The XLogP value of 3.82426 indicates that 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile. Following Lipinski's Rule of Five, 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile has 0 hydrogen bond donor(s) and 5 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-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile?
The CAS number of 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile is 439095-07-5.
What is the molecular formula of 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile?
The molecular formula of 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile is C15H8Cl2N4O2.
What is the molecular weight of 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile?
The molecular weight of 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile is 346.00 g/mol.
Where can I buy 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile?
You can request a quote for 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichlorobenzyl)-2-(3-nitro-2-pyridinyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.