N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline
TL;DR: N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline (CAS 69642-59-7) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline
Also Known As: Benzenamine,N,N-dimethyl-4-[2- ethenyl]-, Benzenamine,N,N-dimethyl-4-[2-(methylsulfonyl)ethenyl]-
| Molecular Formula | C11H15NO2S |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.08235 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 69642-59-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=CS(=O)(=O)C |
| InChIKey | YFEDTPMLDSGPMO-UHFFFAOYSA-N |
Product Overview
N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline (CAS 69642-59-7), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline.
Chemical Property Profile of N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline
Property Insights of N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline. With a topological polar surface area (TPSA) of 45.8 Ų, N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline has 0 hydrogen bond donor(s) and 3 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 N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline?
The CAS number of N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline is 69642-59-7.
What is the molecular formula of N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline?
The molecular formula of N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline is C11H15NO2S.
What is the molecular weight of N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline?
The molecular weight of N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline is 225.08 g/mol.
Where can I buy N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline?
You can request a quote for N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-4-(2-methylsulfonylethenyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.