RefChem:1093595
TL;DR: RefChem:1093595 (CAS 77966-44-0) is a chemical compound with molecular formula C16H28Cl3N3O and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride
Also Known As: C 5402, 5'-Chloro-2-(2-(diethylamino)ethyl)methylamino-o-acetotoluidide dihydrochloride, o-Acetotoluidide, 5'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride, 2-[[2-(5-Chloro-2-methylanilino)-2-oxoethyl]-methylazaniumyl]ethyl-diethylazanium dichloride, [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride
| Molecular Formula | C16H28Cl3N3O |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | -5.97 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.1298 |
| Heavy Atoms | 23 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 77966-44-0 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH+](C)CC(=O)NC1=C(C=CC(=C1)Cl)C.[Cl-].[Cl-] |
| InChIKey | INSVAULNJILYCH-UHFFFAOYSA-N |
Product Overview
RefChem:1093595 (CAS 77966-44-0), with molecular formula C16H28Cl3N3O and molecular weight 383.13 g/mol. IUPAC: [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride.
Chemical Property Profile of RefChem:1093595
Property Insights of RefChem:1093595
The XLogP value of -5.97 indicates that RefChem:1093595 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:1093595 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1093595 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:1093595?
The CAS number of RefChem:1093595 is 77966-44-0.
What is the molecular formula of RefChem:1093595?
The molecular formula of RefChem:1093595 is C16H28Cl3N3O.
What is the molecular weight of RefChem:1093595?
The molecular weight of RefChem:1093595 is 383.13 g/mol.
Where can I buy RefChem:1093595?
You can request a quote for RefChem:1093595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1093595?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1093595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.