![4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) structure](/static/products/1674/16740-29-7.webp)
4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1)
TL;DR: 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) (CAS 16740-29-7) is a chemical compound with molecular formula C20H20N4O11 and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)butan-2-one;2,4,6-trinitrophenol
Also Known As: 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1), 4-(8-Hydroxy-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)butan-2-one--2,4,6-trinitrophenol (1/1), 4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)butan-2-one; 2,4,6-trinitrophenol
| Molecular Formula | C20H20N4O11 |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 2.3602 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.11285 |
| Heavy Atoms | 35 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 16740-29-7 |
|---|---|
| SMILES | CC(=O)CCN1CC(C2=CC3=C(C=C2C1)OCO3)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ORFXNZHAIDCRKO-UHFFFAOYSA-N |
Product Overview
4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) (CAS 16740-29-7), with molecular formula C20H20N4O11 and molecular weight 492.11 g/mol. IUPAC: 4-(8-hydroxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)butan-2-one;2,4,6-trinitrophenol.
Chemical Property Profile of 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1)
Property Insights of 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1)
The XLogP value of 2.3602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1). The TPSA of 217.0 Ų indicates high polarity, suggesting 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1)?
The CAS number of 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) is 16740-29-7.
What is the molecular formula of 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1)?
The molecular formula of 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) is C20H20N4O11.
What is the molecular weight of 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1)?
The molecular weight of 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) is 492.11 g/mol.
Where can I buy 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1)?
You can request a quote for 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.