2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)
TL;DR: 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1) (CAS 128959-30-8) is a chemical compound with molecular formula C21H27NO6S and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;oxalic acid
Also Known As: 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1), Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N,alpha-trimethyl-, ethanedioate (1:1), 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;oxalic acid, 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine; oxalic acid, Oxalic acid--1-{2-[(3,4-dimethoxyphenyl)sulfanyl]phenyl}-N,N-dimethylpropan-2-amine (1/1)
| Molecular Formula | C21H27NO6S |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 3.5032 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.1559 |
| Heavy Atoms | 29 |
| Complexity | 812.56866 |
Chemical Identifiers
| CAS Number | 128959-30-8 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC)N(C)C.C(=O)(C(=O)O)O |
Product Overview
2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1) (CAS 128959-30-8), with molecular formula C21H27NO6S and molecular weight 421.16 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;oxalic acid.
Chemical Property Profile of 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)
Property Insights of 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)
The XLogP value of 3.5032 indicates that 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1). Following Lipinski's Rule of Five, 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1) has 2 hydrogen bond donor(s) and 6 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-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)?
The CAS number of 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1) is 128959-30-8.
What is the molecular formula of 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)?
The molecular formula of 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1) is C21H27NO6S.
What is the molecular weight of 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)?
The molecular weight of 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1) is 421.16 g/mol.
Where can I buy 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)?
You can request a quote for 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1) 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-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.