RefChem:219035
TL;DR: RefChem:219035 (CAS 16994-50-6) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-5-[(1-methylcyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-((1-methylcyclopentyl)methyl)-, hydrochloride, 7-Methyl-5-((1-methylcyclopentyl)methyl)-1,3-dioxolo(4,5-g)isoquinoline hydrochloride, 7-methyl-5-[(1-methylcyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, RefChem:219035
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 0.82 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 16994-50-6 |
|---|---|
| SMILES | CC1=CC2=CC3=C(C=C2C(=[NH+]1)CC4(CCCC4)C)OCO3.[Cl-] |
| InChIKey | LFSGCMJDVVXGRP-UHFFFAOYSA-N |
Product Overview
RefChem:219035 (CAS 16994-50-6), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: 7-methyl-5-[(1-methylcyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of RefChem:219035
Property Insights of RefChem:219035
The XLogP value of 0.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:219035. With a topological polar surface area (TPSA) of 32.6 Ų, RefChem:219035 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:219035 has 1 hydrogen bond donor(s) and 3 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:219035?
The CAS number of RefChem:219035 is 16994-50-6.
What is the molecular formula of RefChem:219035?
The molecular formula of RefChem:219035 is C18H22ClNO2.
What is the molecular weight of RefChem:219035?
The molecular weight of RefChem:219035 is 319.13 g/mol.
Where can I buy RefChem:219035?
You can request a quote for RefChem:219035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219035?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.