RefChem:1091003
TL;DR: RefChem:1091003 (CAS 77966-56-4) is a chemical compound with molecular formula C12H18Cl2N2O and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chloro-N,6-dimethylanilino)-2-oxoethyl]-dimethylazanium chloride
Also Known As: 6'-Chloro-2-(dimethylamino)-N-methyl-o-acetotoluidide hydrochloride, [2-(2-chloro-N,6-dimethylanilino)-2-oxoethyl]-dimethylazanium chloride, o-ACETOTOLUIDIDE, 6'-CHLORO-2-(DIMETHYLAMINO)-N-METHYL-, HYDROCHLORIDE, Acetamide, N-(2-chloro-6-methylphenyl)-2-(dimethylamino)-N-methyl-, monohydrochloride, N-(2-Chloro-6-methylphenyl)-N,N~2~,N~2~-trimethylglycinamide--hydrogen chloride (1/1)
| Molecular Formula | C12H18Cl2N2O |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | -2.24 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.07962 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 77966-56-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)N(C)C(=O)C[NH+](C)C.[Cl-] |
| InChIKey | CVGHYFDUPQDZOH-UHFFFAOYSA-N |
Product Overview
RefChem:1091003 (CAS 77966-56-4), with molecular formula C12H18Cl2N2O and molecular weight 276.08 g/mol. IUPAC: [2-(2-chloro-N,6-dimethylanilino)-2-oxoethyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1091003
Property Insights of RefChem:1091003
The XLogP value of -2.24 indicates that RefChem:1091003 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, RefChem:1091003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091003 has 1 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:1091003?
The CAS number of RefChem:1091003 is 77966-56-4.
What is the molecular formula of RefChem:1091003?
The molecular formula of RefChem:1091003 is C12H18Cl2N2O.
What is the molecular weight of RefChem:1091003?
The molecular weight of RefChem:1091003 is 276.08 g/mol.
Where can I buy RefChem:1091003?
You can request a quote for RefChem:1091003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091003?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.