2-(3,4-Dimethoxyphenyl)butanedinitrile
TL;DR: 2-(3,4-Dimethoxyphenyl)butanedinitrile (CAS 6948-09-0) 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-(3,4-dimethoxyphenyl)butanedinitrile
Also Known As: 2-(3,4-dimethoxyphenyl)butanedinitrile, N-acetyl-thioglycine amide
| 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 | 311.0 |
Chemical Identifiers
| CAS Number | 6948-09-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(CC#N)C#N)OC |
| InChIKey | JCLXEUOVWBFELI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,4-Dimethoxyphenyl)butanedinitrile (CAS 6948-09-0), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)butanedinitrile.
Chemical Property Profile of 2-(3,4-Dimethoxyphenyl)butanedinitrile
Property Insights of 2-(3,4-Dimethoxyphenyl)butanedinitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethoxyphenyl)butanedinitrile. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethoxyphenyl)butanedinitrile. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxyphenyl)butanedinitrile 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-(3,4-Dimethoxyphenyl)butanedinitrile?
The CAS number of 2-(3,4-Dimethoxyphenyl)butanedinitrile is 6948-09-0.
What is the molecular formula of 2-(3,4-Dimethoxyphenyl)butanedinitrile?
The molecular formula of 2-(3,4-Dimethoxyphenyl)butanedinitrile is C12H12N2O2.
What is the molecular weight of 2-(3,4-Dimethoxyphenyl)butanedinitrile?
The molecular weight of 2-(3,4-Dimethoxyphenyl)butanedinitrile is 216.09 g/mol.
Where can I buy 2-(3,4-Dimethoxyphenyl)butanedinitrile?
You can request a quote for 2-(3,4-Dimethoxyphenyl)butanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethoxyphenyl)butanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethoxyphenyl)butanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.