![(3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone structure](/static/products/879/879454-79-2.png)
(3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone
TL;DR: (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone (CAS 879454-79-2) is a chemical compound with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methylidene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-(3-methyl-4-nitrophenyl)methanone
Also Known As: (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone, (5-methylidene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-(3-methyl-4-nitrophenyl)methanone, (5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)(3-methyl-4-nitrophenyl)methanone
| Molecular Formula | C19H16N2O5 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 3.30112 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.10593 |
| Heavy Atoms | 26 |
| Complexity | 966.6421 |
Chemical Identifiers
| CAS Number | 879454-79-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)N2CCC3=CC4=C(C=C3C2=C)OCO4)[N+](=O)[O-] |
Product Overview
(3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone (CAS 879454-79-2), with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol. IUPAC: (5-methylidene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-(3-methyl-4-nitrophenyl)methanone.
Chemical Property Profile of (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone
Property Insights of (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone
The XLogP value of 3.30112 indicates that (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone. Following Lipinski's Rule of Five, (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone has 0 hydrogen bond donor(s) and 5 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 (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone?
The CAS number of (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone is 879454-79-2.
What is the molecular formula of (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone?
The molecular formula of (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone is C19H16N2O5.
What is the molecular weight of (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone?
The molecular weight of (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone is 352.11 g/mol.
Where can I buy (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone?
You can request a quote for (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-methyl-4-nitrophenyl)(5-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.