3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile
TL;DR: 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile (CAS 49621-49-0) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Also Known As: 3,4,5-TRIMETHOXYCINNAMYLNITRILE, 3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile, Phenethenyl hydrocyanic ether, 3,4,5-trimethoxy-, (cis)-
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 49621-49-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC#N |
| InChIKey | UTGSLVKJGNDEMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile (CAS 49621-49-0), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile
Property Insights of 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 51.5 Ų, 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile 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 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile?
The CAS number of 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile is 49621-49-0.
What is the molecular formula of 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile?
The molecular formula of 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile is C12H13NO3.
What is the molecular weight of 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile?
The molecular weight of 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile is 219.09 g/mol.
Where can I buy 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile?
You can request a quote for 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4,5-Trimethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.