![2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride structure](/static/products/1028/102871-96-5.webp)
2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride
TL;DR: 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride (CAS 102871-96-5) is a chemical compound with molecular formula C9H12ClNO3S and molecular weight 249.02264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-1-(4-methylsulfonylphenyl)ethanone;hydrochloride
Also Known As: 2-amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride, 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanonehydrochloride, 7694AC, 2-amino-1-(4-methanesulfonylphenyl)ethan-1-one hydrochloride, aminomethylsulfonylphenylethanonehydrochloride
Technical Specifications
| Molecular Formula | C9H12ClNO3S |
| Molecular Weight | 249.02264 g/mol |
| XLogP | 0.6533 |
| Topological Polar Surface Area (TPSA) | 85.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.02264 Da |
| Heavy Atoms | 15 |
| Complexity | 297.0 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=O)CN.Cl |
| InChIKey | JQZLJYCNKBOYGK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride
Property Insights of 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride
The XLogP value of 0.6533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride. Following Lipinski's Rule of Five, 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride has 2 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 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride?
The CAS number of 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride is 102871-96-5.
What is the molecular formula of 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride?
The molecular formula of 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride is C9H12ClNO3S.
What is the molecular weight of 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride?
The molecular weight of 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride is 249.02264 g/mol.
Where can I buy 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride?
You can request a quote for 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-Amino-1-[4-(methylsulfonyl)phenyl]-1-ethanone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.