RefChem:1091148
TL;DR: RefChem:1091148 (CAS 77966-46-2) 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]-diethylazanium chloride
Also Known As: 3'-Chloro-2-(diethylamino)-o-acetotoluidide hydrochloride, Acetanilide, 3'-chloro-2-(diethylamino)-2'-methyl-, hydrochloride, [2-(3-chloro-2-methylanilino)-2-oxoethyl]-diethylazanium chloride, o-ACETOTOLUIDIDE, 3'-CHLORO-2-(DIETHYLAMINO)-, HYDROCHLORIDE, Acetamide, N-(3-chloro-2-methylphenyl)-2-(diethylamino)-, monohydrochloride
| Molecular Formula | C13H20Cl2N2O |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | -1.48 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.09528 |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 77966-46-2 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)NC1=C(C(=CC=C1)Cl)C.[Cl-] |
| InChIKey | QUHMNMSROUSUOR-UHFFFAOYSA-N |
Product Overview
RefChem:1091148 (CAS 77966-46-2), with molecular formula C13H20Cl2N2O and molecular weight 290.10 g/mol. IUPAC: [2-(3-chloro-2-methylanilino)-2-oxoethyl]-diethylazanium chloride.
Chemical Property Profile of RefChem:1091148
Property Insights of RefChem:1091148
The XLogP value of -1.48 indicates that RefChem:1091148 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, RefChem:1091148 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091148 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 RefChem:1091148?
The CAS number of RefChem:1091148 is 77966-46-2.
What is the molecular formula of RefChem:1091148?
The molecular formula of RefChem:1091148 is C13H20Cl2N2O.
What is the molecular weight of RefChem:1091148?
The molecular weight of RefChem:1091148 is 290.10 g/mol.
Where can I buy RefChem:1091148?
You can request a quote for RefChem:1091148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091148?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.