2-(3,4,5-Trimethoxyphenyl)succinonitrile
TL;DR: 2-(3,4,5-Trimethoxyphenyl)succinonitrile (CAS 108103-87-3) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-trimethoxyphenyl)butanedinitrile
Also Known As: 2-(3,4,5-trimethoxyphenyl)butanedinitrile, 2-(2,4,5-Trimethoxyphenyl)succinonitrile, 2-(3,4,5-trimethoxyphenyl)succinonitrile
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.23326 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 474.9334 |
Chemical Identifiers
| CAS Number | 108103-87-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(CC#N)C#N |
Product Overview
2-(3,4,5-Trimethoxyphenyl)succinonitrile (CAS 108103-87-3), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 2-(3,4,5-trimethoxyphenyl)butanedinitrile.
Chemical Property Profile of 2-(3,4,5-Trimethoxyphenyl)succinonitrile
Property Insights of 2-(3,4,5-Trimethoxyphenyl)succinonitrile
The XLogP value of 2.23326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4,5-Trimethoxyphenyl)succinonitrile. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4,5-Trimethoxyphenyl)succinonitrile. Following Lipinski's Rule of Five, 2-(3,4,5-Trimethoxyphenyl)succinonitrile 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-(3,4,5-Trimethoxyphenyl)succinonitrile?
The CAS number of 2-(3,4,5-Trimethoxyphenyl)succinonitrile is 108103-87-3.
What is the molecular formula of 2-(3,4,5-Trimethoxyphenyl)succinonitrile?
The molecular formula of 2-(3,4,5-Trimethoxyphenyl)succinonitrile is C13H14N2O3.
What is the molecular weight of 2-(3,4,5-Trimethoxyphenyl)succinonitrile?
The molecular weight of 2-(3,4,5-Trimethoxyphenyl)succinonitrile is 246.10 g/mol.
Where can I buy 2-(3,4,5-Trimethoxyphenyl)succinonitrile?
You can request a quote for 2-(3,4,5-Trimethoxyphenyl)succinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4,5-Trimethoxyphenyl)succinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4,5-Trimethoxyphenyl)succinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.