N-Methylmescaline
TL;DR: N-Methylmescaline (CAS 4838-96-4) is a chemical compound with molecular formula C12H19NO3 and molecular weight 225.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine
Also Known As: N-Methylmescaline, Mescaline, N-methyl-, N-Methyl-2-(3,4,5-trimethoxyphenyl)ethanamine, Benzenethanamine, 3,4,5-trimethoxy-N-methyl-, N-methyl-3,4,5-trimethoxyphenethylamine
| Molecular Formula | C12H19NO3 |
|---|---|
| Molecular Weight | 225.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.13649 |
| Heavy Atoms | 16 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 4838-96-4 |
|---|---|
| SMILES | CNCCC1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | OTXANOLOOUNVSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methylmescaline (CAS 4838-96-4), with molecular formula C12H19NO3 and molecular weight 225.14 g/mol. IUPAC: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine.
Chemical Property Profile of N-Methylmescaline
Property Insights of N-Methylmescaline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylmescaline. With a topological polar surface area (TPSA) of 39.7 Ų, N-Methylmescaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylmescaline 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 N-Methylmescaline?
The CAS number of N-Methylmescaline is 4838-96-4.
What is the molecular formula of N-Methylmescaline?
The molecular formula of N-Methylmescaline is C12H19NO3.
What is the molecular weight of N-Methylmescaline?
The molecular weight of N-Methylmescaline is 225.14 g/mol.
Where can I buy N-Methylmescaline?
You can request a quote for N-Methylmescaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylmescaline?
Yes, KEHONG BIO provides custom synthesis services for N-Methylmescaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.