o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride
TL;DR: o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride (CAS 109654-77-5) is a chemical compound with molecular formula C13H20Cl2N2O and molecular weight 290.10 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-methylpropyl)azanium chloride
Also Known As: 3'-Chloro-2-isobutylamino-o-acetotoluidide hydrochloride, o-ACETOTOLUIDIDE, 3'-CHLORO-2-ISOBUTYLAMINO-, HYDROCHLORIDE, [2-(3-chloro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)azanium, Acetamide,N-(3-chloro-2-methylphenyl)-2-[(2-methylpropyl)amino]-, hydrochloride (1:1), (3-chloro-2-methylphenyl)carbamoylmethyl-(2-methylpropyl)azanium chloride
| Molecular Formula | C13H20Cl2N2O |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | -1.19 |
| Topological Polar Surface Area | 45.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.09528 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 109654-77-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C[NH2+]CC(C)C.[Cl-] |
| InChIKey | DEFPJFLOAHQYCG-UHFFFAOYSA-N |
Product Overview
o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride (CAS 109654-77-5), with molecular formula C13H20Cl2N2O and molecular weight 290.10 g/mol. IUPAC: [2-(3-chloro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)azanium chloride.
Chemical Property Profile of o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride
Property Insights of o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride
The XLogP value of -1.19 indicates that o-Acetotoluidide, 3'-chloro-2-isobutylamino-, 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, 3'-chloro-2-isobutylamino-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Acetotoluidide, 3'-chloro-2-isobutylamino-, 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, 3'-chloro-2-isobutylamino-, hydrochloride?
The CAS number of o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride is 109654-77-5.
What is the molecular formula of o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride?
The molecular formula of o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride is C13H20Cl2N2O.
What is the molecular weight of o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride?
The molecular weight of o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride is 290.10 g/mol.
Where can I buy o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride?
You can request a quote for o-Acetotoluidide, 3'-chloro-2-isobutylamino-, 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, 3'-chloro-2-isobutylamino-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for o-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.