Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-
TL;DR: Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)- (CAS 5739-55-9) is a chemical compound with molecular formula C18H22N2O6 and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxy-2-nitroaniline
Also Known As: Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-, 3,4-Dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)benzeneethanamine, n-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxy-2-nitroaniline, N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxy-2-nitroanilin, BRN 2778683
| Molecular Formula | C18H22N2O6 |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.1478 |
| Heavy Atoms | 26 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 5739-55-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC |
| InChIKey | FTCJLGVRQQUJSE-UHFFFAOYSA-N |
Product Overview
Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)- (CAS 5739-55-9), with molecular formula C18H22N2O6 and molecular weight 362.15 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxy-2-nitroaniline.
Chemical Property Profile of Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-
Property Insights of Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-
The XLogP value of 4.1 indicates that Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-. Following Lipinski's Rule of Five, Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)- has 1 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 Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-?
The CAS number of Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)- is 5739-55-9.
What is the molecular formula of Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-?
The molecular formula of Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)- is C18H22N2O6.
What is the molecular weight of Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-?
The molecular weight of Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)- is 362.15 g/mol.
Where can I buy Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-?
You can request a quote for Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 3,4-dimethoxy-N-(4,5-dimethoxy-2-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.