RefChem:117248
TL;DR: RefChem:117248 (CAS 36116-28-6) is a chemical compound with molecular formula C21H27Cl2N5 and molecular weight 419.16434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-chloro-3-[[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride
Also Known As: Benzenaminium, 4-chloro-3-((4-((2-cyanoethyl)ethylamino)-2-methylphenyl)azo)-N,N,N-trimethyl-, chloride, 4-Chloro-3-((4-((2-cyanoethyl)ethylamino)-m-tolyl)azo)-N,N,N-trimethylanilinium chloride, 4-chloro-3-[(e)-{4-[(2-cyanoethyl)(ethyl)amino]-2-methylphenyl}diazenyl]-n,n,n-trimethylanilinium chloride, 4-CHLORO-3-[[4-[(2-CYANOETHYL)ETHYLAMINO]-M-TOLYL]AZO]-N,N,N-TRIMETHYLANILINIUM CHLORIDE, Benzenaminium, 4-chloro-3-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)diazenyl)-N,N,N-trimethyl-, chloride (1:1)
Technical Specifications
| Molecular Formula | C21H27Cl2N5 |
| Molecular Weight | 419.16434 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.16434 Da |
| Heavy Atoms | 28 |
| Complexity | 534.0 |
| SMILES | CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)[N+](C)(C)C)Cl)C.[Cl-] |
| InChIKey | NYACCAKMZUTNJA-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:117248
Property Insights of RefChem:117248
The XLogP value of 3.0 indicates that RefChem:117248 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, RefChem:117248 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117248 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:117248?
The CAS number of RefChem:117248 is 36116-28-6.
What is the molecular formula of RefChem:117248?
The molecular formula of RefChem:117248 is C21H27Cl2N5.
What is the molecular weight of RefChem:117248?
The molecular weight of RefChem:117248 is 419.16434 g/mol.
Where can I buy RefChem:117248?
You can request a quote for RefChem:117248 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:117248?
Yes, CoreyChem provides custom synthesis services for RefChem:117248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.