1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate
TL;DR: 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate (CAS 40297-41-4) is a chemical compound with molecular formula C30H32N2O10 and molecular weight 580.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[4-(2-nitro-1,2-diphenylethenyl)phenoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate, Ethanamine, N,N-dimethyl-2-(4-(2-nitro-1,2-diphenylethenyl)phenoxy)-, 2-hydroxy-1,2,3-propanetricarboxylate, 1-p-(beta-(Dimethylaminoethoxy)-phenyl)-2-nitro-1,2-diphenyl ethylene citrate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--N,N-dimethyl-2-[4-(2-nitro-1,2-diphenylethen-1-yl)phenoxy]ethan-1-amine (1/1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--N,N-dimethyl-2-[4-(2-nitro-1,2-diphenylethenyl)phenoxy]ethan-1-amine (1/1)
| Molecular Formula | C30H32N2O10 |
|---|---|
| Molecular Weight | 580.21 g/mol |
| LogP | 3.5718 |
| Topological Polar Surface Area | 187.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 580.2057 |
| Heavy Atoms | 42 |
| Complexity | 1372.6067 |
Chemical Identifiers
| CAS Number | 40297-41-4 |
|---|---|
| SMILES | CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate (CAS 40297-41-4), with molecular formula C30H32N2O10 and molecular weight 580.21 g/mol. IUPAC: N,N-dimethyl-2-[4-(2-nitro-1,2-diphenylethenyl)phenoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate
Property Insights of 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate
The XLogP value of 3.5718 indicates that 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.74 Ų indicates high polarity, suggesting 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate?
The CAS number of 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate is 40297-41-4.
What is the molecular formula of 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate?
The molecular formula of 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate is C30H32N2O10.
What is the molecular weight of 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate?
The molecular weight of 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate is 580.21 g/mol.
Where can I buy 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate?
You can request a quote for 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-(beta-Dimethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.