3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate
TL;DR: 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate (CAS 83658-54-2) is a chemical compound with molecular formula C22H25FN2O4 and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylpropan-1-amine;oxalic acid
Also Known As: 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate, 3-Isoquinolinepropanamine, 3,4-dihydro-N,N-dimethyl-1-(2-fluorophenyl)-, ethanedioate, 3-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylpropan-1-amine; oxalic acid, Oxalic acid--3-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylpropan-1-amine (1/1), RefChem:280209
| Molecular Formula | C22H25FN2O4 |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 3.0852 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.17984 |
| Heavy Atoms | 29 |
| Complexity | 883.8859 |
Chemical Identifiers
| CAS Number | 83658-54-2 |
|---|---|
| SMILES | CN(C)CCCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3F.C(=O)(C(=O)O)O |
Product Overview
3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate (CAS 83658-54-2), with molecular formula C22H25FN2O4 and molecular weight 400.18 g/mol. IUPAC: 3-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylpropan-1-amine;oxalic acid.
Chemical Property Profile of 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate
Property Insights of 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate
The XLogP value of 3.0852 indicates that 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate 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-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate. Following Lipinski's Rule of Five, 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate 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-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate?
The CAS number of 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate is 83658-54-2.
What is the molecular formula of 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate?
The molecular formula of 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate is C22H25FN2O4.
What is the molecular weight of 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate?
The molecular weight of 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate is 400.18 g/mol.
Where can I buy 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate?
You can request a quote for 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate 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-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-N,N-dimethyl-1-(2-fluorophenyl)-3-isoquinolinepropanamine ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.