3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2)
TL;DR: 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2) (CAS 83658-26-8) is a chemical compound with molecular formula C21H21FN2O8 and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;oxalic acid
Also Known As: 3,4-Dihydro-1-(2-fluorophenyl)-3-isoquinolineethanamine ethanedioate (1:2), 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2), 2-(1-(2-Fluorophenyl)-3,4-dihydroisoquinolin-3-yl)ethanamine dioxalate, 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine,oxalic acid, 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalic acid
| Molecular Formula | C21H21FN2O8 |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 1.2478 |
| Topological Polar Surface Area | 187.58 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.1282 |
| Heavy Atoms | 32 |
| Complexity | 974.3642 |
Chemical Identifiers
| CAS Number | 83658-26-8 |
|---|---|
| SMILES | C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3F)CCN.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2) (CAS 83658-26-8), with molecular formula C21H21FN2O8 and molecular weight 448.13 g/mol. IUPAC: 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;oxalic acid.
Chemical Property Profile of 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2)
Property Insights of 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2)
The XLogP value of 1.2478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2). The TPSA of 187.58 Ų indicates high polarity, suggesting 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2) has 5 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 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2)?
The CAS number of 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2) is 83658-26-8.
What is the molecular formula of 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2)?
The molecular formula of 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2) is C21H21FN2O8.
What is the molecular weight of 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2)?
The molecular weight of 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2) is 448.13 g/mol.
Where can I buy 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2)?
You can request a quote for 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.