Methyl 2-(dicyanomethyldiazenyl)benzoate
TL;DR: Methyl 2-(dicyanomethyldiazenyl)benzoate (CAS 6325-23-1) is a chemical compound with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(dicyanomethyldiazenyl)benzoate
Also Known As: methyl 2-(dicyanomethyldiazenyl)benzoate, methyl 2-[(e)-(dicyanomethyl)diazenyl]benzoate, Benzoic acid,2-[2-(dicyanomethyl)diazenyl]-, methyl ester, Benzoic acid,2-[2-(dicyanomethyl)diazenyl]-,methyl ester
| Molecular Formula | C11H8N4O2 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.06473 |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 6325-23-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N=NC(C#N)C#N |
| InChIKey | WUXGVDWNPKOHJX-UHFFFAOYSA-N |
Product Overview
Methyl 2-(dicyanomethyldiazenyl)benzoate (CAS 6325-23-1), with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol. IUPAC: methyl 2-(dicyanomethyldiazenyl)benzoate.
Chemical Property Profile of Methyl 2-(dicyanomethyldiazenyl)benzoate
Property Insights of Methyl 2-(dicyanomethyldiazenyl)benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(dicyanomethyldiazenyl)benzoate. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(dicyanomethyldiazenyl)benzoate. Following Lipinski's Rule of Five, Methyl 2-(dicyanomethyldiazenyl)benzoate has 0 hydrogen bond donor(s) and 6 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 Methyl 2-(dicyanomethyldiazenyl)benzoate?
The CAS number of Methyl 2-(dicyanomethyldiazenyl)benzoate is 6325-23-1.
What is the molecular formula of Methyl 2-(dicyanomethyldiazenyl)benzoate?
The molecular formula of Methyl 2-(dicyanomethyldiazenyl)benzoate is C11H8N4O2.
What is the molecular weight of Methyl 2-(dicyanomethyldiazenyl)benzoate?
The molecular weight of Methyl 2-(dicyanomethyldiazenyl)benzoate is 228.06 g/mol.
Where can I buy Methyl 2-(dicyanomethyldiazenyl)benzoate?
You can request a quote for Methyl 2-(dicyanomethyldiazenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(dicyanomethyldiazenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(dicyanomethyldiazenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.