![2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile structure](/static/products/973/97336-27-1.png)
2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile
TL;DR: 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile (CAS 97336-27-1) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile
Also Known As: 2-(2,2-dicyanovinyl)-3-ethyl-4,5-dimethylpyrrole, 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile, 2-((3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylene)malononitrile, InChI=1/C12H13N3/c1-4-11-8(2)9(3)15-12(11)5-10(6-13)7-14/h5,15H,4H2,1-3H
| Molecular Formula | C12H13N3 |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 2.6245 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11095 |
| Heavy Atoms | 15 |
| Complexity | 462.1911 |
Chemical Identifiers
| CAS Number | 97336-27-1 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C)C=C(C#N)C#N |
Product Overview
2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile (CAS 97336-27-1), with molecular formula C12H13N3 and molecular weight 199.11 g/mol. IUPAC: 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile
Property Insights of 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile
The XLogP value of 2.6245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile 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-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile?
The CAS number of 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile is 97336-27-1.
What is the molecular formula of 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile?
The molecular formula of 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile is C12H13N3.
What is the molecular weight of 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile?
The molecular weight of 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile is 199.11 g/mol.
Where can I buy 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile?
You can request a quote for 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.