3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1)
TL;DR: 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1) (CAS 83658-35-9) is a chemical compound with molecular formula C21H23ClN2O4 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-chlorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;oxalic acid
Also Known As: 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1), 3-Isoquinolineethanamine, 3,4-dihydro-1-(3-chlorophenyl)-N,N-dimethyl-, ethanedioate (1:1), 2-[1-(3-chlorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine; oxalic acid, Oxalic acid--2-[1-(3-chlorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethan-1-amine (1/1), RefChem:280191
| Molecular Formula | C21H23ClN2O4 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 3.2094 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.13464 |
| Heavy Atoms | 28 |
| Complexity | 868.21423 |
Chemical Identifiers
| CAS Number | 83658-35-9 |
|---|---|
| SMILES | CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O |
Product Overview
3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1) (CAS 83658-35-9), with molecular formula C21H23ClN2O4 and molecular weight 402.13 g/mol. IUPAC: 2-[1-(3-chlorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;oxalic acid.
Chemical Property Profile of 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1)
Property Insights of 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1)
The XLogP value of 3.2094 indicates that 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1). Following Lipinski's Rule of Five, 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1) has 2 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 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1)?
The CAS number of 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1) is 83658-35-9.
What is the molecular formula of 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1)?
The molecular formula of 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1) is C21H23ClN2O4.
What is the molecular weight of 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1)?
The molecular weight of 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1) is 402.13 g/mol.
Where can I buy 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1)?
You can request a quote for 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine 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 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.