1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-
TL;DR: 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- (CAS 68901-03-1) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-diethoxy-4-nitrophenyl)azepane
Also Known As: 1-(2,5-diethoxy-4-nitrophenyl)azepane, 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-, 4-Hexamethyleneimino-2,5-diethoxynitrobenzene, 1-(2,5-Diethoxy-4-nitrophenyl)hexahydro-1H-azepine, RefChem:438002
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 68901-03-1 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1N2CCCCCC2)OCC)[N+](=O)[O-] |
| InChIKey | ZHCOSGIWOWHIHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- (CAS 68901-03-1), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: 1-(2,5-diethoxy-4-nitrophenyl)azepane.
Chemical Property Profile of 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-
Property Insights of 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-
The XLogP value of 3.8 indicates that 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-. Following Lipinski's Rule of Five, 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- 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 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-?
The CAS number of 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- is 68901-03-1.
What is the molecular formula of 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-?
The molecular formula of 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- is C16H24N2O4.
What is the molecular weight of 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-?
The molecular weight of 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- is 308.17 g/mol.
Where can I buy 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-?
You can request a quote for 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine, 1-(2,5-diethoxy-4-nitrophenyl)hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.