2-Tosylaniline
TL;DR: 2-Tosylaniline (CAS 14317-83-0) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonylaniline
Also Known As: 2-Tosylaniline, o-tosylaniline, 2-(4-methylphenyl)sulfonylaniline, 2-(p-tolylsulfonyl)aniline, 2-[(4-methylphenyl)sulfonyl]aniline
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 14317-83-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N |
| InChIKey | XOPAGLKXJILVRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Tosylaniline (CAS 14317-83-0), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 2-(4-methylphenyl)sulfonylaniline.
Chemical Property Profile of 2-Tosylaniline
Property Insights of 2-Tosylaniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tosylaniline. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tosylaniline. Following Lipinski's Rule of Five, 2-Tosylaniline 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
Frequently Asked Questions
What is the CAS number of 2-Tosylaniline?
The CAS number of 2-Tosylaniline is 14317-83-0.
What is the molecular formula of 2-Tosylaniline?
The molecular formula of 2-Tosylaniline is C13H13NO2S.
What is the molecular weight of 2-Tosylaniline?
The molecular weight of 2-Tosylaniline is 247.07 g/mol.
Where can I buy 2-Tosylaniline?
You can request a quote for 2-Tosylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tosylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Tosylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.