RefChem:138048
TL;DR: RefChem:138048 (CAS 64346-61-8) is a chemical compound with molecular formula C22H31Cl2N5O2 and molecular weight 467.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-diethyl-methylazanium chloride
Also Known As: Ethanaminium, 2-((4-((2-chloro-4-nitrophenyl)azo)-3-methylphenyl)ethylamino)-N,N-diethyl-N-methyl-, chloride, (2-((4-((2-Chloro-4-nitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)diethylmethyl chloride, [2-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]diethylmethyl chloride, 2-[{4-[(e)-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]-n,n-diethyl-n-methylethanaminium chloride, Ethanaminium, 2-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)-3-methylphenyl)ethylamino)-N,N-diethyl-N-methyl-, chloride (1:1)
| Molecular Formula | C22H31Cl2N5O2 |
|---|---|
| Molecular Weight | 467.19 g/mol |
| LogP | 3.29 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.1855 |
| Heavy Atoms | 31 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 64346-61-8 |
|---|---|
| SMILES | CCN(CC[N+](C)(CC)CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C.[Cl-] |
| InChIKey | CFACCVPINQKMKE-UHFFFAOYSA-M |
Product Overview
RefChem:138048 (CAS 64346-61-8), with molecular formula C22H31Cl2N5O2 and molecular weight 467.19 g/mol. IUPAC: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-diethyl-methylazanium chloride.
Chemical Property Profile of RefChem:138048
Property Insights of RefChem:138048
The XLogP value of 3.29 indicates that RefChem:138048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:138048. Following Lipinski's Rule of Five, RefChem:138048 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:138048?
The CAS number of RefChem:138048 is 64346-61-8.
What is the molecular formula of RefChem:138048?
The molecular formula of RefChem:138048 is C22H31Cl2N5O2.
What is the molecular weight of RefChem:138048?
The molecular weight of RefChem:138048 is 467.19 g/mol.
Where can I buy RefChem:138048?
You can request a quote for RefChem:138048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138048?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.