![2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile structure](/static/products/5553/5553-93-5.webp)
2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile
TL;DR: 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile (CAS 5553-93-5) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethoxyphenyl)methyl]propanedinitrile
Also Known As: 2-(2,5-dimethoxybenzyl)malononitrile, 2-[(2,5-dimethoxyphenyl)methyl]propanedinitrile, [(2,5-Dimethoxyphenyl)methyl]propanedinitrile
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5553-93-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)CC(C#N)C#N |
| InChIKey | HBPPFRYOLNFRAU-UHFFFAOYSA-N |
Product Overview
2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile (CAS 5553-93-5), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-[(2,5-dimethoxyphenyl)methyl]propanedinitrile.
Chemical Property Profile of 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile
Property Insights of 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile. Following Lipinski's Rule of Five, 2-[(2,5-Dimethoxyphenyl)methyl]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-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile?
The CAS number of 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile is 5553-93-5.
What is the molecular formula of 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile?
The molecular formula of 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile is C12H12N2O2.
What is the molecular weight of 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile?
The molecular weight of 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile is 216.09 g/mol.
Where can I buy 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile?
You can request a quote for 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-Dimethoxyphenyl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.