p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride
TL;DR: p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride (CAS 77966-70-2) is a chemical compound with molecular formula C13H19Br2ClN2O and molecular weight 411.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-diethylazanium chloride
Also Known As: C 3039, 2',6'-Dibromo-2-(diethylamino)-p-acetotoluidide, hydrochloride, Acetanilide, 2',6'-dibromo-2-(diethylamino)-4'-methyl-, hydrochloride, p-ACETOTOLUIDIDE, 2',6'-DIBROMO-2-(DIETHYLAMINO)-, HYDROCHLORIDE, [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-diethylazanium chloride
| Molecular Formula | C13H19Br2ClN2O |
|---|---|
| Molecular Weight | 411.96 g/mol |
| LogP | -0.61 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.95322 |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 77966-70-2 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)NC1=C(C=C(C=C1Br)C)Br.[Cl-] |
| InChIKey | LATRIXVLHRLHPP-UHFFFAOYSA-N |
Product Overview
p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride (CAS 77966-70-2), with molecular formula C13H19Br2ClN2O and molecular weight 411.96 g/mol. IUPAC: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-diethylazanium chloride.
Chemical Property Profile of p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride
Property Insights of p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride
The XLogP value of -0.61 indicates that p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride 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, p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride 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 p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride?
The CAS number of p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride is 77966-70-2.
What is the molecular formula of p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride?
The molecular formula of p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride is C13H19Br2ClN2O.
What is the molecular weight of p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride?
The molecular weight of p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride is 411.96 g/mol.
Where can I buy p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride?
You can request a quote for p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.