2,5-Dimethoxybenzene-1,4-diacetonitrile
TL;DR: 2,5-Dimethoxybenzene-1,4-diacetonitrile (CAS 38439-93-9) 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-[4-(cyanomethyl)-2,5-dimethoxyphenyl]acetonitrile
Also Known As: 2,5-Dimethoxybenzene-1,4-diacetonitrile, PDAN-OMe, 2-[4-(cyanomethyl)-2,5-dimethoxyphenyl]acetonitrile, Maybridge1_006955, 2,5-Dimethoxy-1,4-benzenediacetonitrile
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.2 |
| 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 | 279.0 |
Chemical Identifiers
| CAS Number | 38439-93-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CC#N)OC)CC#N |
| InChIKey | ITOCIRIGKGMWME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethoxybenzene-1,4-diacetonitrile (CAS 38439-93-9), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-[4-(cyanomethyl)-2,5-dimethoxyphenyl]acetonitrile.
Chemical Property Profile of 2,5-Dimethoxybenzene-1,4-diacetonitrile
Property Insights of 2,5-Dimethoxybenzene-1,4-diacetonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethoxybenzene-1,4-diacetonitrile. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethoxybenzene-1,4-diacetonitrile. Following Lipinski's Rule of Five, 2,5-Dimethoxybenzene-1,4-diacetonitrile 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 2,5-Dimethoxybenzene-1,4-diacetonitrile?
The CAS number of 2,5-Dimethoxybenzene-1,4-diacetonitrile is 38439-93-9.
What is the molecular formula of 2,5-Dimethoxybenzene-1,4-diacetonitrile?
The molecular formula of 2,5-Dimethoxybenzene-1,4-diacetonitrile is C12H12N2O2.
What is the molecular weight of 2,5-Dimethoxybenzene-1,4-diacetonitrile?
The molecular weight of 2,5-Dimethoxybenzene-1,4-diacetonitrile is 216.09 g/mol.
Where can I buy 2,5-Dimethoxybenzene-1,4-diacetonitrile?
You can request a quote for 2,5-Dimethoxybenzene-1,4-diacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethoxybenzene-1,4-diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethoxybenzene-1,4-diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.