4-Methylsulfonylbenzylamine
TL;DR: 4-Methylsulfonylbenzylamine (CAS 4393-16-2) is a chemical compound with molecular formula C8H11NO2S and molecular weight 185.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylsulfonylphenyl)methanamine
Also Known As: 4-(Methylsulfonyl)benzylamine, 4-Methylsulfonylbenzylamine, 4-Metylsulfonylbensylamin, (4-methylsulfonylphenyl)methanamine, (4-(METHYLSULFONYL)PHENYL)METHANAMINE
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.05106 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.05106 Da |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)CN |
| InChIKey | VMNXLLDFGVEBLE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylsulfonylbenzylamine
Property Insights of 4-Methylsulfonylbenzylamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylsulfonylbenzylamine. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylsulfonylbenzylamine. Following Lipinski's Rule of Five, 4-Methylsulfonylbenzylamine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylsulfonylbenzylamine?
The CAS number of 4-Methylsulfonylbenzylamine is 4393-16-2.
What is the molecular formula of 4-Methylsulfonylbenzylamine?
The molecular formula of 4-Methylsulfonylbenzylamine is C8H11NO2S.
What is the molecular weight of 4-Methylsulfonylbenzylamine?
The molecular weight of 4-Methylsulfonylbenzylamine is 185.05106 g/mol.
Where can I buy 4-Methylsulfonylbenzylamine?
You can request a quote for 4-Methylsulfonylbenzylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylsulfonylbenzylamine?
Yes, CoreyChem provides custom synthesis services for 4-Methylsulfonylbenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.