o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride
TL;DR: o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride (CAS 77966-30-4) is a chemical compound with molecular formula C12H16Cl2N2O and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-prop-2-enylazanium chloride
Also Known As: C 3124, 2-(Allylamino)-2'-chloro-6'-methylacetanilide, hydrochloride, 2-(Allylamino)-6'-chloro-o-acetotoluidide, hydrochloride, o-ACETOTOLUIDIDE, 2-(ALLYLAMINO)-6'-CHLORO-, HYDROCHLORIDE, (2-chloro-6-methylphenyl)carbamoylmethylprop-2-enyl-azanium chloride
| Molecular Formula | C12H16Cl2N2O |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | -1.66 |
| Topological Polar Surface Area | 45.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.06396 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 77966-30-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)C[NH2+]CC=C.[Cl-] |
| InChIKey | LEOJHBDUZJXAIL-UHFFFAOYSA-N |
Product Overview
o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride (CAS 77966-30-4), with molecular formula C12H16Cl2N2O and molecular weight 274.06 g/mol. IUPAC: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-prop-2-enylazanium chloride.
Chemical Property Profile of o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride
Property Insights of o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride
The XLogP value of -1.66 indicates that o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.7 Ų, o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Acetotoluidide, 2-(allylamino)-6'-chloro-, 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 o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride?
The CAS number of o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride is 77966-30-4.
What is the molecular formula of o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride?
The molecular formula of o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride is C12H16Cl2N2O.
What is the molecular weight of o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride?
The molecular weight of o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride is 274.06 g/mol.
Where can I buy o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride?
You can request a quote for o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for o-Acetotoluidide, 2-(allylamino)-6'-chloro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.