2,3,4-Trimethoxyphenethylamine
TL;DR: 2,3,4-Trimethoxyphenethylamine (CAS 3937-16-4) is a chemical compound with molecular formula C11H17NO3 and molecular weight 211.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3,4-trimethoxyphenyl)ethanamine
Also Known As: Isomescaline, 2,3,4-Trimethoxyphenethylamine, 2-(2,3,4-trimethoxyphenyl)ethan-1-amine, Benzeneethanamine, 2,3,4-trimethoxy-, 2-(2,3,4-trimethoxyphenyl)ethanamine
| Molecular Formula | C11H17NO3 |
|---|---|
| Molecular Weight | 211.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.12085 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 3937-16-4 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CCN)OC)OC |
| InChIKey | PVLFQRLVSMMSQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4-Trimethoxyphenethylamine (CAS 3937-16-4), with molecular formula C11H17NO3 and molecular weight 211.12 g/mol. IUPAC: 2-(2,3,4-trimethoxyphenyl)ethanamine.
Chemical Property Profile of 2,3,4-Trimethoxyphenethylamine
Property Insights of 2,3,4-Trimethoxyphenethylamine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trimethoxyphenethylamine. With a topological polar surface area (TPSA) of 53.7 Ų, 2,3,4-Trimethoxyphenethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethoxyphenethylamine has 1 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-Trimethoxyphenethylamine?
The CAS number of 2,3,4-Trimethoxyphenethylamine is 3937-16-4.
What is the molecular formula of 2,3,4-Trimethoxyphenethylamine?
The molecular formula of 2,3,4-Trimethoxyphenethylamine is C11H17NO3.
What is the molecular weight of 2,3,4-Trimethoxyphenethylamine?
The molecular weight of 2,3,4-Trimethoxyphenethylamine is 211.12 g/mol.
Where can I buy 2,3,4-Trimethoxyphenethylamine?
You can request a quote for 2,3,4-Trimethoxyphenethylamine 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-Trimethoxyphenethylamine?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethoxyphenethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.