Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride
TL;DR: Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride (CAS 21340-43-2) is a chemical compound with molecular formula C14H18BrClN2O and molecular weight 344.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-bromoanilino)-2-oxoethyl]-bis(prop-2-enyl)azanium chloride
Also Known As: 3'-Bromo-2-diallylaminoacetanilide hydrochloride, ACETANILIDE, 3'-BROMO-2-(DIALLYLAMINO)-, MONOHYDROCHLORIDE, [2-(3-Bromoanilino)-2-oxoethyl]-di(prop-2-enyl)azanium chloride, [2-(3-bromoanilino)-2-oxoethyl]-bis(prop-2-enyl)azanium chloride, RefChem:315773
| Molecular Formula | C14H18BrClN2O |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | -1.35 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.0291 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 21340-43-2 |
|---|---|
| SMILES | C=CC[NH+](CC=C)CC(=O)NC1=CC(=CC=C1)Br.[Cl-] |
| InChIKey | WRXNLOHLMOLHAK-UHFFFAOYSA-N |
Product Overview
Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride (CAS 21340-43-2), with molecular formula C14H18BrClN2O and molecular weight 344.03 g/mol. IUPAC: [2-(3-bromoanilino)-2-oxoethyl]-bis(prop-2-enyl)azanium chloride.
Chemical Property Profile of Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride
Property Insights of Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride
The XLogP value of -1.35 indicates that Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride 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, Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride 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 Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride?
The CAS number of Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride is 21340-43-2.
What is the molecular formula of Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride?
The molecular formula of Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride is C14H18BrClN2O.
What is the molecular weight of Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride?
The molecular weight of Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride is 344.03 g/mol.
Where can I buy Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride?
You can request a quote for Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 3'-bromo-2-(diallylamino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.