RefChem:1093600
TL;DR: RefChem:1093600 (CAS 77966-38-2) is a chemical compound with molecular formula C22H31Cl4N3O and molecular weight 493.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[(4-chlorophenyl)methyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride
Also Known As: C 5364, 6'-Chloro-2-(p-chlorobenzyl(2-(diethylamino)ethyl)amino)-o-acetototuidide dihydrochloride, o-Acetotoluidide, 6'-chloro-2-(p-chlorobenzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride, [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[(4-chlorophenyl)methyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride, Acetamide, N-(2-chloro-6-methylphenyl)-2-[[(4-chlorophenyl)methyl][2-(diethylamino)ethyl]amino]-, dihydrochloride
| Molecular Formula | C22H31Cl4N3O |
|---|---|
| Molecular Weight | 493.12 g/mol |
| LogP | -3.74 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 495.11917 |
| Heavy Atoms | 30 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 77966-38-2 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH+](CC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C=CC=C2Cl)C.[Cl-].[Cl-] |
| InChIKey | XGOCQYAXNACGKF-UHFFFAOYSA-N |
Product Overview
RefChem:1093600 (CAS 77966-38-2), with molecular formula C22H31Cl4N3O and molecular weight 493.12 g/mol. IUPAC: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[(4-chlorophenyl)methyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride.
Chemical Property Profile of RefChem:1093600
Property Insights of RefChem:1093600
The XLogP value of -3.74 indicates that RefChem:1093600 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:1093600 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1093600 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:1093600?
The CAS number of RefChem:1093600 is 77966-38-2.
What is the molecular formula of RefChem:1093600?
The molecular formula of RefChem:1093600 is C22H31Cl4N3O.
What is the molecular weight of RefChem:1093600?
The molecular weight of RefChem:1093600 is 493.12 g/mol.
Where can I buy RefChem:1093600?
You can request a quote for RefChem:1093600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1093600?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1093600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.