RefChem:219027
TL;DR: RefChem:219027 (CAS 17656-60-9) is a chemical compound with molecular formula C19H20Cl2N2O3 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-[(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]aniline;dihydrochloride
Also Known As: 1,3-Dioxolo(4,5-g)isoquinoline, 5-(alpha-amino-m-methoxybenzyl)-7-methyl-, dihydrochloride, 5-(alpha-Amino-m-methoxybenzyl)-7-methyl-1,3-dioxolo(4,5-g)isoquinoline dihydrochloride, 3-methoxy-N-[(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]aniline dihydrochloride, 3-Methoxy-N-[(7-methyl-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]aniline--hydrogen chloride (1/2), RefChem:219027
| Molecular Formula | C19H20Cl2N2O3 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 4.73622 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.08508 |
| Heavy Atoms | 26 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 17656-60-9 |
|---|---|
| SMILES | CC1=CC2=CC3=C(C=C2C(=N1)CNC4=CC(=CC=C4)OC)OCO3.Cl.Cl |
| InChIKey | SZKPEBPMGIRILK-UHFFFAOYSA-N |
Product Overview
RefChem:219027 (CAS 17656-60-9), with molecular formula C19H20Cl2N2O3 and molecular weight 394.09 g/mol. IUPAC: 3-methoxy-N-[(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]aniline;dihydrochloride.
Chemical Property Profile of RefChem:219027
Property Insights of RefChem:219027
The XLogP value of 4.73622 indicates that RefChem:219027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:219027 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:219027 has 3 hydrogen bond donor(s) and 5 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:219027?
The CAS number of RefChem:219027 is 17656-60-9.
What is the molecular formula of RefChem:219027?
The molecular formula of RefChem:219027 is C19H20Cl2N2O3.
What is the molecular weight of RefChem:219027?
The molecular weight of RefChem:219027 is 394.09 g/mol.
Where can I buy RefChem:219027?
You can request a quote for RefChem:219027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219027?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.