4-Toluidine tosylate
TL;DR: 4-Toluidine tosylate (CAS 14034-62-9) is a chemical compound with molecular formula C14H17NO3S and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylaniline;4-methylbenzenesulfonic acid
Also Known As: 4-Methylaniline, 4-toluidine tosylate, p-toluidine p-toluenesulfonate, 4-methylaniline,4-methylbenzenesulfonic acid, 4-methylaniline; 4-methylbenzenesulfonic acid
| Molecular Formula | C14H17NO3S |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.81894 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.09293 |
| Heavy Atoms | 19 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 14034-62-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N.CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | BGKMHCKUGVZEHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Toluidine tosylate (CAS 14034-62-9), with molecular formula C14H17NO3S and molecular weight 279.09 g/mol. IUPAC: 4-methylaniline;4-methylbenzenesulfonic acid.
Chemical Property Profile of 4-Toluidine tosylate
Property Insights of 4-Toluidine tosylate
The XLogP value of 2.81894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Toluidine tosylate. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Toluidine tosylate. Following Lipinski's Rule of Five, 4-Toluidine tosylate 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
Frequently Asked Questions
What is the CAS number of 4-Toluidine tosylate?
The CAS number of 4-Toluidine tosylate is 14034-62-9.
What is the molecular formula of 4-Toluidine tosylate?
The molecular formula of 4-Toluidine tosylate is C14H17NO3S.
What is the molecular weight of 4-Toluidine tosylate?
The molecular weight of 4-Toluidine tosylate is 279.09 g/mol.
Where can I buy 4-Toluidine tosylate?
You can request a quote for 4-Toluidine tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Toluidine tosylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Toluidine tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.