RefChem:177629
TL;DR: RefChem:177629 (CAS 14408-20-9) is a chemical compound with molecular formula C21H20Cl3N5O2 and molecular weight 479.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride
Also Known As: 1-[2-[[4-[(2,6-Dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride, 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline;chloride, Pyridinium, 1-(2-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-, chloride, Pyridinium, 1-(2-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)ethyl)-, chloride (1:1), 1-(2-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)pyridinium chloride
| Molecular Formula | C21H20Cl3N5O2 |
|---|---|
| Molecular Weight | 479.07 g/mol |
| LogP | 3.14 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.06827 |
| Heavy Atoms | 31 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 14408-20-9 |
|---|---|
| SMILES | CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl.[Cl-] |
| InChIKey | LPOFSFJHFNJPBD-UHFFFAOYSA-M |
Product Overview
RefChem:177629 (CAS 14408-20-9), with molecular formula C21H20Cl3N5O2 and molecular weight 479.07 g/mol. IUPAC: 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride.
Chemical Property Profile of RefChem:177629
Property Insights of RefChem:177629
The XLogP value of 3.14 indicates that RefChem:177629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:177629. Following Lipinski's Rule of Five, RefChem:177629 has 0 hydrogen bond donor(s) and 6 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:177629?
The CAS number of RefChem:177629 is 14408-20-9.
What is the molecular formula of RefChem:177629?
The molecular formula of RefChem:177629 is C21H20Cl3N5O2.
What is the molecular weight of RefChem:177629?
The molecular weight of RefChem:177629 is 479.07 g/mol.
Where can I buy RefChem:177629?
You can request a quote for RefChem:177629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:177629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:177629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.