RefChem:1061582
TL;DR: RefChem:1061582 (CAS 77791-66-3) is a chemical compound with molecular formula C12H16Cl4N2O and molecular weight 344.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium chloride
Also Known As: 2-(Diethylamino)-2',4',6'-trichloroacetanilide, hydrochloride, ACETANILIDE, 2-(DIETHYLAMINO)-2',4',6'-TRICHLORO-, HYDROCHLORIDE, diethyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium chloride, Acetamide, 2-(diethylamino)-N-(2,4,6-trichlorophenyl)-, monohydrochloride, 2-(Diethylamino)-N-(2,4,6-trichlorophenyl)ethanimidic acid--hydrogen chloride (1/1)
| Molecular Formula | C12H16Cl4N2O |
|---|---|
| Molecular Weight | 344.00 g/mol |
| LogP | -0.49 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.99872 |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 77791-66-3 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl.[Cl-] |
| InChIKey | UNCKXMXKRDFTGJ-UHFFFAOYSA-N |
Product Overview
RefChem:1061582 (CAS 77791-66-3), with molecular formula C12H16Cl4N2O and molecular weight 344.00 g/mol. IUPAC: diethyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium chloride.
Chemical Property Profile of RefChem:1061582
Property Insights of RefChem:1061582
The XLogP value of -0.49 indicates that RefChem:1061582 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.5 Ų, RefChem:1061582 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061582 has 2 hydrogen bond donor(s) and 2 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:1061582?
The CAS number of RefChem:1061582 is 77791-66-3.
What is the molecular formula of RefChem:1061582?
The molecular formula of RefChem:1061582 is C12H16Cl4N2O.
What is the molecular weight of RefChem:1061582?
The molecular weight of RefChem:1061582 is 344.00 g/mol.
Where can I buy RefChem:1061582?
You can request a quote for RefChem:1061582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061582?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.