RefChem:349893
TL;DR: RefChem:349893 (CAS 2803-69-2) is a chemical compound with molecular formula C17H21Cl2FN2 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]azanium dichloride
Also Known As: 1-(2-Amino-4-fluorobenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride, Isoquinoline, 1,2,3,4-tetrahydro-1-(2-amino-4-fluorobenzyl)-2-methyl-, dihydrochloride, [5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]azanium dichloride, RefChem:349893
| Molecular Formula | C17H21Cl2FN2 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | -4.94 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.10657 |
| Heavy Atoms | 22 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 2803-69-2 |
|---|---|
| SMILES | C[NH+]1CCC2=CC=CC=C2C1CC3=C(C=C(C=C3)F)[NH3+].[Cl-].[Cl-] |
| InChIKey | YPAMGQMUBOMUNA-UHFFFAOYSA-N |
Product Overview
RefChem:349893 (CAS 2803-69-2), with molecular formula C17H21Cl2FN2 and molecular weight 342.11 g/mol. IUPAC: [5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]azanium dichloride.
Chemical Property Profile of RefChem:349893
Property Insights of RefChem:349893
The XLogP value of -4.94 indicates that RefChem:349893 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.1 Ų, RefChem:349893 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349893 has 2 hydrogen bond donor(s) and 3 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 RefChem:349893?
The CAS number of RefChem:349893 is 2803-69-2.
What is the molecular formula of RefChem:349893?
The molecular formula of RefChem:349893 is C17H21Cl2FN2.
What is the molecular weight of RefChem:349893?
The molecular weight of RefChem:349893 is 342.11 g/mol.
Where can I buy RefChem:349893?
You can request a quote for RefChem:349893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349893?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.