RefChem:231188
TL;DR: RefChem:231188 (CAS 39964-81-3) is a chemical compound with molecular formula C28H30N2O4 and molecular weight 458.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine
Also Known As: 5-22-12-00445 (Beilstein Handbook Reference), alpha-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-N-(2-phenylethyl)-1-isoquinolinemethanamine, 1-Isoquinolinemethanamine, 6,7-dimethoxy-alpha-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-, N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine, [(6,7-dimethoxy-isoquinolin-1-yl)-(3,4-dimethoxy-phenyl)-methyl]-phenethyl-amine
| Molecular Formula | C28H30N2O4 |
|---|---|
| Molecular Weight | 458.22 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.22055 |
| Heavy Atoms | 34 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 39964-81-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)NCCC4=CC=CC=C4)OC |
| InChIKey | AKRAYSGCOJUJFQ-UHFFFAOYSA-N |
Product Overview
RefChem:231188 (CAS 39964-81-3), with molecular formula C28H30N2O4 and molecular weight 458.22 g/mol. IUPAC: N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine.
Chemical Property Profile of RefChem:231188
Property Insights of RefChem:231188
The XLogP value of 5.0 indicates that RefChem:231188 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:231188. Following Lipinski's Rule of Five, RefChem:231188 has 1 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:231188?
The CAS number of RefChem:231188 is 39964-81-3.
What is the molecular formula of RefChem:231188?
The molecular formula of RefChem:231188 is C28H30N2O4.
What is the molecular weight of RefChem:231188?
The molecular weight of RefChem:231188 is 458.22 g/mol.
Where can I buy RefChem:231188?
You can request a quote for RefChem:231188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:231188?
Yes, KEHONG BIO provides custom synthesis services for RefChem:231188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.