RefChem:1058651
TL;DR: RefChem:1058651 (CAS 37519-65-6) is a chemical compound with molecular formula C21H28BrN3O4 and molecular weight 465.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide bromide
Also Known As: SC/3123, 3,4-Dihydro-6,7-dimethoxy-N-(2-(2-methoxyphenoxy)ethyl)-2(1H)-isoquinolinecarboximidamide, 2(1H)-Isoquinolinecarboximidamide, 3,4-dihydro-6,7-dimethoxy-N-(2-(2-methoxyphenoxy)ethyl)-, monohydrobromide, N-(2-o-Methoxyphenoxyethyl)-6,7-dimethoxy-3,4-dihydro-2-(1H)-isoquinoline carboxamidine HBr, 6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide bromide
| Molecular Formula | C21H28BrN3O4 |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | -1.95 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.1263 |
| Heavy Atoms | 29 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 37519-65-6 |
|---|---|
| SMILES | COC1=CC=CC=C1OCCN=C(N)[NH+]2CCC3=CC(=C(C=C3C2)OC)OC.[Br-] |
| InChIKey | IINJLRJIHZBHCW-UHFFFAOYSA-N |
Product Overview
RefChem:1058651 (CAS 37519-65-6), with molecular formula C21H28BrN3O4 and molecular weight 465.13 g/mol. IUPAC: 6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide bromide.
Chemical Property Profile of RefChem:1058651
Property Insights of RefChem:1058651
The XLogP value of -1.95 indicates that RefChem:1058651 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058651. Following Lipinski's Rule of Five, RefChem:1058651 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 RefChem:1058651?
The CAS number of RefChem:1058651 is 37519-65-6.
What is the molecular formula of RefChem:1058651?
The molecular formula of RefChem:1058651 is C21H28BrN3O4.
What is the molecular weight of RefChem:1058651?
The molecular weight of RefChem:1058651 is 465.13 g/mol.
Where can I buy RefChem:1058651?
You can request a quote for RefChem:1058651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058651?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.