1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride
TL;DR: 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride (CAS 16974-19-9) is a chemical compound with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 5-(1,1-Dimethylpentyl)-1,3-dioxolo(4,5-g)isoquinoline hydrochloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5-(1,1-DIMETHYLPENTYL)-, HYDROCHLORIDE, 5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, RefChem:219025
| Molecular Formula | C17H22ClNO2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 0.85 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.1339 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 16974-19-9 |
|---|---|
| SMILES | CCCCC(C)(C)C1=[NH+]C=CC2=CC3=C(C=C21)OCO3.[Cl-] |
| InChIKey | PBLMSRODRXSIES-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride (CAS 16974-19-9), with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol. IUPAC: 5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride
Property Insights of 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride. With a topological polar surface area (TPSA) of 32.6 Ų, 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride 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 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride?
The CAS number of 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride is 16974-19-9.
What is the molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride?
The molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride is C17H22ClNO2.
What is the molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride?
The molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride is 307.13 g/mol.
Where can I buy 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride?
You can request a quote for 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.