![2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile structure](/static/products/799/799253-17-1.png)
2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile
TL;DR: 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile (CAS 799253-17-1) is a chemical compound with molecular formula C13H15N3O and molecular weight 229.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile
Also Known As: BAS 06028682, 2-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile, 2-[1-(2-Methoxy-ethyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene]-malononitrile, Propanedinitrile, [[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]- (9CI)
| Molecular Formula | C13H15N3O |
|---|---|
| Molecular Weight | 229.12 g/mol |
| LogP | 2.1819 |
| Topological Polar Surface Area | 61.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.1215 |
| Heavy Atoms | 17 |
| Complexity | 495.9925 |
Chemical Identifiers
| CAS Number | 799253-17-1 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C=C(C#N)C#N |
Product Overview
2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile (CAS 799253-17-1), with molecular formula C13H15N3O and molecular weight 229.12 g/mol. IUPAC: 2-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile
Property Insights of 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile
The XLogP value of 2.1819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile. The TPSA of 61.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile has 0 hydrogen bond donor(s) and 3 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-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile?
The CAS number of 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile is 799253-17-1.
What is the molecular formula of 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile?
The molecular formula of 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile is C13H15N3O.
What is the molecular weight of 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile?
The molecular weight of 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile is 229.12 g/mol.
Where can I buy 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile?
You can request a quote for 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-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-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.