2,4-Bis(methylsulfonyl)aniline
TL;DR: 2,4-Bis(methylsulfonyl)aniline (CAS 42986-91-4) is a chemical compound with molecular formula C8H11NO4S2 and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(methylsulfonyl)aniline
Also Known As: 2,4-Bis(methylsulfonyl)aniline, 2,4-dimethanesulfonylaniline, 2,4-di-(methylsulfonyl)-aniline, 1-amino-2,4-dimethanesulfonylbenzene, AE-562/43457984
| Molecular Formula | C8H11NO4S2 |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.01295 |
| Heavy Atoms | 15 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 42986-91-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)N)S(=O)(=O)C |
| InChIKey | VCSNPTXBUJEECX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Bis(methylsulfonyl)aniline (CAS 42986-91-4), with molecular formula C8H11NO4S2 and molecular weight 249.01 g/mol. IUPAC: 2,4-bis(methylsulfonyl)aniline.
Chemical Property Profile of 2,4-Bis(methylsulfonyl)aniline
Property Insights of 2,4-Bis(methylsulfonyl)aniline
The XLogP value of -0.6 indicates that 2,4-Bis(methylsulfonyl)aniline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis(methylsulfonyl)aniline. Following Lipinski's Rule of Five, 2,4-Bis(methylsulfonyl)aniline has 1 hydrogen bond donor(s) and 5 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 2,4-Bis(methylsulfonyl)aniline?
The CAS number of 2,4-Bis(methylsulfonyl)aniline is 42986-91-4.
What is the molecular formula of 2,4-Bis(methylsulfonyl)aniline?
The molecular formula of 2,4-Bis(methylsulfonyl)aniline is C8H11NO4S2.
What is the molecular weight of 2,4-Bis(methylsulfonyl)aniline?
The molecular weight of 2,4-Bis(methylsulfonyl)aniline is 249.01 g/mol.
Where can I buy 2,4-Bis(methylsulfonyl)aniline?
You can request a quote for 2,4-Bis(methylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(methylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(methylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.