RefChem:1058606
TL;DR: RefChem:1058606 (CAS 77966-78-0) is a chemical compound with molecular formula C23H34Cl3N3O and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium dichloride
Also Known As: C 5363, 2',6'-Acetoxylidide, 2-(p-chlorobenzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride, 2-(p-Chlorobenzyl(2-(diethylamino)ethyl)amino)-2',6'-acetoxylidide dihydrochloride, (4-chlorophenyl)methyl-(2-diethylazaniumylethyl)-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]azanium dichloride, (4-chlorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium dichloride
| Molecular Formula | C23H34Cl3N3O |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | -4.09 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.17676 |
| Heavy Atoms | 30 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 77966-78-0 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH+](CC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C=CC=C2C)C.[Cl-].[Cl-] |
| InChIKey | PEWINSZXJADESH-UHFFFAOYSA-N |
Product Overview
RefChem:1058606 (CAS 77966-78-0), with molecular formula C23H34Cl3N3O and molecular weight 473.18 g/mol. IUPAC: (4-chlorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium dichloride.
Chemical Property Profile of RefChem:1058606
Property Insights of RefChem:1058606
The XLogP value of -4.09 indicates that RefChem:1058606 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.0 Ų, RefChem:1058606 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058606 has 3 hydrogen bond donor(s) and 3 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:1058606?
The CAS number of RefChem:1058606 is 77966-78-0.
What is the molecular formula of RefChem:1058606?
The molecular formula of RefChem:1058606 is C23H34Cl3N3O.
What is the molecular weight of RefChem:1058606?
The molecular weight of RefChem:1058606 is 473.18 g/mol.
Where can I buy RefChem:1058606?
You can request a quote for RefChem:1058606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058606?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.