![[2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile structure](/static/products/675/675857-38-2.png)
[2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile
TL;DR: [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile (CAS 675857-38-2) is a chemical compound with molecular formula C15H15N3O and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile
Also Known As: BAS 07528783, [2-methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile, 2-(2-Methoxy-4-pyrrolidin-1-yl-benzylidene)-malononitrile, 2-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile
| Molecular Formula | C15H15N3O |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 2.72596 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.1215 |
| Heavy Atoms | 19 |
| Complexity | 556.034 |
Chemical Identifiers
| CAS Number | 675857-38-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N2CCCC2)C=C(C#N)C#N |
Product Overview
[2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile (CAS 675857-38-2), with molecular formula C15H15N3O and molecular weight 253.12 g/mol. IUPAC: 2-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile.
Chemical Property Profile of [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile
Property Insights of [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile
The XLogP value of 2.72596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile. Following Lipinski's Rule of Five, [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile has 0 hydrogen bond donor(s) and 4 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-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
The CAS number of [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile is 675857-38-2.
What is the molecular formula of [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
The molecular formula of [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile is C15H15N3O.
What is the molecular weight of [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
The molecular weight of [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile is 253.12 g/mol.
Where can I buy [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
You can request a quote for [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [2-Methoxy-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.