RefChem:219028
TL;DR: RefChem:219028 (CAS 17656-51-8) is a chemical compound with molecular formula C20H22Cl2N2O4 and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanamine;dihydrochloride
Also Known As: 5-(alpha-Aminoveratryl)-7-methyl-1,3-dioxolo(4,5-g)isoquinoline dihydrochloride, 1,3-Dioxolo(4,5-g)isoquinoline, 5-(alpha-aminoveratryl)-7-methyl-, dihydrochloride, (3,4-dimethoxyphenyl)-(7-methyl-[1,3]dioxolo[4,5-g]isoquinol, (3,4-dimethoxyphenyl)-(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanamine dihydrochloride, 1-(3,4-Dimethoxyphenyl)-1-(7-methyl-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanamine--hydrogen chloride (1/2)
| Molecular Formula | C20H22Cl2N2O4 |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 4.18082 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.09567 |
| Heavy Atoms | 28 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 17656-51-8 |
|---|---|
| SMILES | CC1=CC2=CC3=C(C=C2C(=N1)C(C4=CC(=C(C=C4)OC)OC)N)OCO3.Cl.Cl |
| InChIKey | LYKSVCCEJZCEDC-UHFFFAOYSA-N |
Product Overview
RefChem:219028 (CAS 17656-51-8), with molecular formula C20H22Cl2N2O4 and molecular weight 424.10 g/mol. IUPAC: (3,4-dimethoxyphenyl)-(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanamine;dihydrochloride.
Chemical Property Profile of RefChem:219028
Property Insights of RefChem:219028
The XLogP value of 4.18082 indicates that RefChem:219028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:219028. Following Lipinski's Rule of Five, RefChem:219028 has 3 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:219028?
The CAS number of RefChem:219028 is 17656-51-8.
What is the molecular formula of RefChem:219028?
The molecular formula of RefChem:219028 is C20H22Cl2N2O4.
What is the molecular weight of RefChem:219028?
The molecular weight of RefChem:219028 is 424.10 g/mol.
Where can I buy RefChem:219028?
You can request a quote for RefChem:219028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219028?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.