RefChem:1084597
TL;DR: RefChem:1084597 (CAS 56621-60-4) is a chemical compound with molecular formula C17H20ClNO3S and molecular weight 353.08524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-methyl-[2-(4-methylsulfonylphenyl)-2-oxoethyl]azanium chloride
Also Known As: Ethanone, 2-(methyl(phenylmethyl)amino)-1-(4-(methylsulfonyl)phenyl)-, hydrochloride, 2-(Methyl(phenylmethyl)amino)-1-(4-(methylsulfonyl)phenyl)ethanone hydrochloride, benzyl-methyl-[2-(4-methylsulfonylphenyl)-2-oxoethyl]azanium chloride
Technical Specifications
| Molecular Formula | C17H20ClNO3S |
| Molecular Weight | 353.08524 g/mol |
| XLogP | -2.01 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.08524 Da |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
| SMILES | C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C.[Cl-] |
| InChIKey | HLGBQPFMMPGBOM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1084597
Property Insights of RefChem:1084597
The XLogP value of -2.01 indicates that RefChem:1084597 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084597. Following Lipinski's Rule of Five, RefChem:1084597 has 1 hydrogen bond donor(s) and 4 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:1084597?
The CAS number of RefChem:1084597 is 56621-60-4.
What is the molecular formula of RefChem:1084597?
The molecular formula of RefChem:1084597 is C17H20ClNO3S.
What is the molecular weight of RefChem:1084597?
The molecular weight of RefChem:1084597 is 353.08524 g/mol.
Where can I buy RefChem:1084597?
You can request a quote for RefChem:1084597 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1084597?
Yes, CoreyChem provides custom synthesis services for RefChem:1084597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.