1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride
TL;DR: 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride (CAS 17105-28-1) is a chemical compound with molecular formula C16H20ClNO2 and molecular weight 293.11826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,2-dimethylpropyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 1-Neopentyl-3-methyl-6,7-methylenedioxyisoquinoline hydrochloride, 7-Methyl-5-neopentyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 7-METHYL-5-NEOPENTYL-, HYDROCHLORIDE, 5-(2,2-Dimethylpropyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-iumchloride, 5-(2,2-dimethylpropyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Technical Specifications
| Molecular Formula | C16H20ClNO2 |
| Molecular Weight | 293.11826 g/mol |
| XLogP | 0.28 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.11826 Da |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
| SMILES | CC1=CC2=CC3=C(C=C2C(=[NH+]1)CC(C)(C)C)OCO3.[Cl-] |
| InChIKey | FIBFDLFGHAMWEE-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride
Property Insights of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride
The XLogP value of 0.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride. With a topological polar surface area (TPSA) of 32.6 Ų, 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, 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
What is the CAS number of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride?
The CAS number of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride is 17105-28-1.
What is the molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride?
The molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride is C16H20ClNO2.
What is the molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride?
The molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride is 293.11826 g/mol.
Where can I buy 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride?
You can request a quote for 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.