1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride
TL;DR: 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride (CAS 20232-69-3) is a chemical compound with molecular formula C15H18ClNO2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: 5-tert-Butyl-7-methyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5-tert-BUTYL-7-METHYL-, HYDROCHLORIDE, 5-tert-butyl-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, RefChem:219029
| Molecular Formula | C15H18ClNO2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | -0.01 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.1026 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 20232-69-3 |
|---|---|
| SMILES | CC1=CC2=CC3=C(C=C2C(=[NH+]1)C(C)(C)C)OCO3.[Cl-] |
| InChIKey | SIVHCUQEOZMZNI-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride (CAS 20232-69-3), with molecular formula C15H18ClNO2 and molecular weight 279.10 g/mol. IUPAC: 5-tert-butyl-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride
Property Insights of 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride
The XLogP value of -0.01 indicates that 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.6 Ų, 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, 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-tert-butyl-7-methyl-, 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-tert-butyl-7-methyl-, hydrochloride?
The CAS number of 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride is 20232-69-3.
What is the molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride?
The molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride is C15H18ClNO2.
What is the molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride?
The molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride is 279.10 g/mol.
Where can I buy 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride?
You can request a quote for 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, 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-tert-butyl-7-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolo(4,5-g)isoquinoline, 5-tert-butyl-7-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.