![2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile structure](/static/products/5688/5688-83-5.webp)
2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile
TL;DR: 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile (CAS 5688-83-5) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,3,4-trimethoxyphenyl)methylidene]propanedinitrile
Also Known As: 2-[(2,3,4-trimethoxyphenyl)methylidene]propanedinitrile, 2,3,4-Trimethoxybenzylidenemalononitrile, (2,3,4-trimethoxybenzylidene)propanedinitrile, 2-[(2,3,4-Trimethoxyphenyl)methylene]propanedinitrile, 2-(2,3,4-trimethoxybenzylidene)malononitrile
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 5688-83-5 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C=C(C#N)C#N)OC)OC |
| InChIKey | VDQMDUGZIZBUGN-UHFFFAOYSA-N |
Product Overview
2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile (CAS 5688-83-5), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 2-[(2,3,4-trimethoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile
Property Insights of 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile has 0 hydrogen bond donor(s) and 5 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-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile?
The CAS number of 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile is 5688-83-5.
What is the molecular formula of 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile?
The molecular formula of 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile is C13H12N2O3.
What is the molecular weight of 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile?
The molecular weight of 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile is 244.08 g/mol.
Where can I buy 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile?
You can request a quote for 2-[(2,3,4-Trimethoxyphenyl)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-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,3,4-Trimethoxyphenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.