![(5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide structure](/static/products/102/1023948-40-4.png)
(5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide
TL;DR: (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide (CAS 1023948-40-4) is a chemical compound with molecular formula C21H25N2O4+ and molecular weight 369.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide
Also Known As: (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide, 4-methoxy-6,6-dimethyl-5-[(2-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide
| Molecular Formula | C21H25N2O4+ |
|---|---|
| Molecular Weight | 369.18 g/mol |
| LogP | 3.04462 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.18143 |
| Heavy Atoms | 27 |
| Complexity | 907.29486 |
Chemical Identifiers
| CAS Number | 1023948-40-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2C3=C(C4=C(C=C3CC[N+]2(C)C)OCO4)OC |
Product Overview
(5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide (CAS 1023948-40-4), with molecular formula C21H25N2O4+ and molecular weight 369.18 g/mol. IUPAC: 4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide.
Chemical Property Profile of (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide
Property Insights of (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide
The XLogP value of 3.04462 indicates that (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide 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 (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide?
The CAS number of (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide is 1023948-40-4.
What is the molecular formula of (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide?
The molecular formula of (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide is C21H25N2O4+.
What is the molecular weight of (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide?
The molecular weight of (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide is 369.18 g/mol.
Where can I buy (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide?
You can request a quote for (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (5S)-4-methoxy-6,6-dimethyl-N-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.