![N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide structure](/static/products/879/879470-87-8.png)
N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
TL;DR: N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide (CAS 879470-87-8) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-dimethyl-2-nitrophenyl)-2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)acetamide
Also Known As: N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide, N-(4,5-dimethyl-2-nitrophenyl)-2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)acetamide
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 3.36974 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 1004.7529 |
Chemical Identifiers
| CAS Number | 879470-87-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2CCC3=CC4=C(C=C3C2)OCCCO4 |
Product Overview
N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide (CAS 879470-87-8), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: N-(4,5-dimethyl-2-nitrophenyl)-2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)acetamide.
Chemical Property Profile of N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Property Insights of N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
The XLogP value of 3.36974 indicates that N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide. Following Lipinski's Rule of Five, N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
The CAS number of N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide is 879470-87-8.
What is the molecular formula of N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
The molecular formula of N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide is C22H25N3O5.
What is the molecular weight of N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
The molecular weight of N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide is 411.18 g/mol.
Where can I buy N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
You can request a quote for N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.