J3.709.939B
TL;DR: J3.709.939B (CAS 99004-70-3) is a chemical compound with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-nitrophenyl)ethanone
Also Known As: J3.709.939B, 1-(4-Nitrophenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-5-yl)ethanone, 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-nitrophenyl)ethanone, 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-nitrophenyl)ethanone, 2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-nitrophenyl)ethanone
| Molecular Formula | C20H20N2O6 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 3.1341 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.13214 |
| Heavy Atoms | 28 |
| Complexity | 940.7024 |
Chemical Identifiers
| CAS Number | 99004-70-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OCO3 |
Product Overview
J3.709.939B (CAS 99004-70-3), with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol. IUPAC: 2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of J3.709.939B
Property Insights of J3.709.939B
The XLogP value of 3.1341 indicates that J3.709.939B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.709.939B. Following Lipinski's Rule of Five, J3.709.939B has 0 hydrogen bond donor(s) and 7 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 J3.709.939B?
The CAS number of J3.709.939B is 99004-70-3.
What is the molecular formula of J3.709.939B?
The molecular formula of J3.709.939B is C20H20N2O6.
What is the molecular weight of J3.709.939B?
The molecular weight of J3.709.939B is 384.13 g/mol.
Where can I buy J3.709.939B?
You can request a quote for J3.709.939B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.709.939B?
Yes, KEHONG BIO provides custom synthesis services for J3.709.939B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.