RefChem:788706
TL;DR: RefChem:788706 (CAS 72379-48-7) is a chemical compound with molecular formula C20H27ClN6O4 and molecular weight 450.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
amino-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium acetate
Also Known As: 1-(2-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-1,1-dimethylhydrazinium acetate, Hydrazinium, 1-(2-((4-((2-chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-1,1-dimethyl-, acetate, Hydrazinium, 1-(2-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)ethyl)-1,1-dimethyl-, acetate (1:1), 1-[2-[[4-[ azo]phenyl]ethylamino]ethyl]-1,1-dimethylhydraziniumacetate, Hydrazinium, 1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-1,1-dimethyl-, acetate
| Molecular Formula | C20H27ClN6O4 |
|---|---|
| Molecular Weight | 450.18 g/mol |
| LogP | 3.1962 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.17822 |
| Heavy Atoms | 31 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 72379-48-7 |
|---|---|
| SMILES | CCN(CC[N+](C)(C)N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.CC(=O)[O-] |
| InChIKey | QYPUKHLDCSFLDQ-UHFFFAOYSA-M |
Product Overview
RefChem:788706 (CAS 72379-48-7), with molecular formula C20H27ClN6O4 and molecular weight 450.18 g/mol. IUPAC: amino-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium acetate.
Chemical Property Profile of RefChem:788706
Property Insights of RefChem:788706
The XLogP value of 3.1962 indicates that RefChem:788706 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:788706 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:788706 has 1 hydrogen bond donor(s) and 8 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 RefChem:788706?
The CAS number of RefChem:788706 is 72379-48-7.
What is the molecular formula of RefChem:788706?
The molecular formula of RefChem:788706 is C20H27ClN6O4.
What is the molecular weight of RefChem:788706?
The molecular weight of RefChem:788706 is 450.18 g/mol.
Where can I buy RefChem:788706?
You can request a quote for RefChem:788706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:788706?
Yes, KEHONG BIO provides custom synthesis services for RefChem:788706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.