RefChem:1091614
TL;DR: RefChem:1091614 (CAS 27241-98-1) is a chemical compound with molecular formula C20H27ClN2O and molecular weight 346.18118 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(N-benzyl-3-methylanilino)-2-oxoethyl]-diethylazanium chloride
Also Known As: m-ACETOTOLUIDIDE, N-BENZYL-2-(DIETHYLAMINO)-, MONOHYDROCHLORIDE, N-Benzyl-2-(diethylamino)-m-acetotoluidide hydrochloride, [2-(N-benzyl-3-methylanilino)-2-oxoethyl]-diethylazanium;chloride, [2-(N-benzyl-3-methylanilino)-2-oxoethyl]-diethylazanium chloride, N-Benzyl-N~2~,N~2~-diethyl-N-(3-methylphenyl)glycinamide--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C20H27ClN2O |
| Molecular Weight | 346.18118 g/mol |
| XLogP | -0.54 |
| Topological Polar Surface Area (TPSA) | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.18118 Da |
| Heavy Atoms | 24 |
| Complexity | 348.0 |
| SMILES | CC[NH+](CC)CC(=O)N(CC1=CC=CC=C1)C2=CC=CC(=C2)C.[Cl-] |
| InChIKey | VBBVAYNXGVUMHF-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1091614
Property Insights of RefChem:1091614
The XLogP value of -0.54 indicates that RefChem:1091614 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:1091614 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091614 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
What is the CAS number of RefChem:1091614?
The CAS number of RefChem:1091614 is 27241-98-1.
What is the molecular formula of RefChem:1091614?
The molecular formula of RefChem:1091614 is C20H27ClN2O.
What is the molecular weight of RefChem:1091614?
The molecular weight of RefChem:1091614 is 346.18118 g/mol.
Where can I buy RefChem:1091614?
You can request a quote for RefChem:1091614 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1091614?
Yes, CoreyChem provides custom synthesis services for RefChem:1091614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.