2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole
TL;DR: 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole (CAS 59435-04-0) is a chemical compound with molecular formula C11H11N3 and molecular weight 185.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile
Also Known As: 2-(2,2-DICYANOVINYL)-3,4,5-TRIMETHYLPYRROLE, J3.780.857A, 2-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile, 2-((3,4,5-Trimethyl-1H-pyrrol-2-yl)methylene)malononitrile, 660-783-5
| Molecular Formula | C11H11N3 |
|---|---|
| Molecular Weight | 185.10 g/mol |
| LogP | 2.37052 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.09529 |
| Heavy Atoms | 14 |
| Complexity | 447.9477 |
Chemical Identifiers
| CAS Number | 59435-04-0 |
|---|---|
| SMILES | CC1=C(NC(=C1C)C=C(C#N)C#N)C |
Product Overview
2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole (CAS 59435-04-0), with molecular formula C11H11N3 and molecular weight 185.10 g/mol. IUPAC: 2-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole
Property Insights of 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole
The XLogP value of 2.37052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole. Following Lipinski's Rule of Five, 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole has 1 hydrogen bond donor(s) and 2 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-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole?
The CAS number of 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole is 59435-04-0.
What is the molecular formula of 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole?
The molecular formula of 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole is C11H11N3.
What is the molecular weight of 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole?
The molecular weight of 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole is 185.10 g/mol.
Where can I buy 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole?
You can request a quote for 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dicyanovinyl)-3,4,5-trimethylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.