RefChem:219017
TL;DR: RefChem:219017 (CAS 66902-34-9) is a chemical compound with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-methyl-7-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 1(3-Phenylpropyl)-2-methyl-6,7-methylenedioxy-8-methoxy-1,2,3,4-tetrahydroisoquinoline HCl, 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-7-(3-phenylpropyl)-, hydrochloride, 4-methoxy-6-methyl-7-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-4-METHOXY-6-METHYL-7-(3-PHENY, 1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-7-(3-phenylpropyl)-, hydrochloride
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | -0.61 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 66902-34-9 |
|---|---|
| SMILES | C[NH+]1CC2=C(C3=C(C=C2CC1CCCC4=CC=CC=C4)OCO3)OC.[Cl-] |
| InChIKey | IKJDQKMKZXMARR-UHFFFAOYSA-N |
Product Overview
RefChem:219017 (CAS 66902-34-9), with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol. IUPAC: 4-methoxy-6-methyl-7-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of RefChem:219017
Property Insights of RefChem:219017
The XLogP value of -0.61 indicates that RefChem:219017 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:219017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:219017 has 1 hydrogen bond donor(s) and 4 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:219017?
The CAS number of RefChem:219017 is 66902-34-9.
What is the molecular formula of RefChem:219017?
The molecular formula of RefChem:219017 is C21H26ClNO3.
What is the molecular weight of RefChem:219017?
The molecular weight of RefChem:219017 is 375.16 g/mol.
Where can I buy RefChem:219017?
You can request a quote for RefChem:219017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219017?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.