RefChem:788710
TL;DR: RefChem:788710 (CAS 4613-05-2) is a chemical compound with molecular formula C19H24ClN7O2 and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
amino-[2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium chloride
Also Known As: Hydrazinium, 1-(2-((4-((2-cyano-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-1,1-dimethyl-, chloride, 1-{2-[{4-[(e)-(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-1,1-dimethylhydrazinium chloride, Hydrazinium, 1-(2-((4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)ethylamino)ethyl)-1,1-dimethyl-, chloride (1:1), Hydrazinium, 1-[2-[[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-1,1-dimethyl-, chloride (1:1), amino-[2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium chloride
| Molecular Formula | C19H24ClN7O2 |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.168 |
| Heavy Atoms | 29 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 4613-05-2 |
|---|---|
| SMILES | CCN(CC[N+](C)(C)N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.[Cl-] |
| InChIKey | NTMXFCNMPWQBRY-UHFFFAOYSA-M |
Product Overview
RefChem:788710 (CAS 4613-05-2), with molecular formula C19H24ClN7O2 and molecular weight 417.17 g/mol. IUPAC: amino-[2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:788710
Property Insights of RefChem:788710
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:788710. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:788710. Following Lipinski's Rule of Five, RefChem:788710 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:788710?
The CAS number of RefChem:788710 is 4613-05-2.
What is the molecular formula of RefChem:788710?
The molecular formula of RefChem:788710 is C19H24ClN7O2.
What is the molecular weight of RefChem:788710?
The molecular weight of RefChem:788710 is 417.17 g/mol.
Where can I buy RefChem:788710?
You can request a quote for RefChem:788710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:788710?
Yes, KEHONG BIO provides custom synthesis services for RefChem:788710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.