RefChem:366331
TL;DR: RefChem:366331 (CAS 77984-94-2) 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-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride
Also Known As: C 5397, 3'-Chloro-2-(2-(diethylamino)ethyl)methylamino-o-acetotoluidide dihydrochloride, o-Acetotoluidide, 3'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride, Acetamide, N-(3-chloro-2-methylphenyl)-2-((2-(diethylamino)ethyl)methylamino)-, dihydrochloride, N-(3-Chloro-2-methylphenyl)-2-{[2-(diethylamino)ethyl](methyl)amino}ethanimidic acid
| 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 | 77984-94-2 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH+](C)CC(=O)NC1=C(C(=CC=C1)Cl)C.[Cl-].[Cl-] |
| InChIKey | YHNWMYQYPWETMY-UHFFFAOYSA-N |
Product Overview
RefChem:366331 (CAS 77984-94-2), with molecular formula C16H28Cl3N3O and molecular weight 383.13 g/mol. IUPAC: [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride.
Chemical Property Profile of RefChem:366331
Property Insights of RefChem:366331
The XLogP value of -5.97 indicates that RefChem:366331 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:366331 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:366331 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:366331?
The CAS number of RefChem:366331 is 77984-94-2.
What is the molecular formula of RefChem:366331?
The molecular formula of RefChem:366331 is C16H28Cl3N3O.
What is the molecular weight of RefChem:366331?
The molecular weight of RefChem:366331 is 383.13 g/mol.
Where can I buy RefChem:366331?
You can request a quote for RefChem:366331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:366331?
Yes, KEHONG BIO provides custom synthesis services for RefChem:366331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.