2,3,4-Trimethoxyphenylacetonitrile
TL;DR: 2,3,4-Trimethoxyphenylacetonitrile (CAS 68913-85-9) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3,4-trimethoxyphenyl)acetonitrile
Also Known As: 2,3,4-Trimethoxyphenylacetonitrile, 2-(2,3,4-trimethoxyphenyl)acetonitrile, trimethoxy phenyl acetonitrile, (2,3,4-trimethoxyphenyl)acetonitrile, 2,3,4-trimethoxyphenyl-acetonitrile
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 68913-85-9 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CC#N)OC)OC |
| InChIKey | RZVUKELRMABJPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4-Trimethoxyphenylacetonitrile (CAS 68913-85-9), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 2-(2,3,4-trimethoxyphenyl)acetonitrile.
Chemical Property Profile of 2,3,4-Trimethoxyphenylacetonitrile
Property Insights of 2,3,4-Trimethoxyphenylacetonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trimethoxyphenylacetonitrile. With a topological polar surface area (TPSA) of 51.5 Ų, 2,3,4-Trimethoxyphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethoxyphenylacetonitrile 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-Trimethoxyphenylacetonitrile?
The CAS number of 2,3,4-Trimethoxyphenylacetonitrile is 68913-85-9.
What is the molecular formula of 2,3,4-Trimethoxyphenylacetonitrile?
The molecular formula of 2,3,4-Trimethoxyphenylacetonitrile is C11H13NO3.
What is the molecular weight of 2,3,4-Trimethoxyphenylacetonitrile?
The molecular weight of 2,3,4-Trimethoxyphenylacetonitrile is 207.09 g/mol.
Where can I buy 2,3,4-Trimethoxyphenylacetonitrile?
You can request a quote for 2,3,4-Trimethoxyphenylacetonitrile 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-Trimethoxyphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethoxyphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.