Benzenamine, 4-methylbenzenesulfonate (1:1)
TL;DR: Benzenamine, 4-methylbenzenesulfonate (1:1) (CAS 14034-57-2) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aniline;4-methylbenzenesulfonic acid
Also Known As: Anilinium p-tolylsulphonate, Aniline p-toluenesulfonate, Benzenamine, 4-methylbenzenesulfonate, anilinium 4-methylbenzenesulfonate, aniline; 4-methylbenzenesulfonic acid
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 2.51 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 14034-57-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)N |
| InChIKey | HFWCMJLOMOWFJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 4-methylbenzenesulfonate (1:1) (CAS 14034-57-2), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: aniline;4-methylbenzenesulfonic acid.
Chemical Property Profile of Benzenamine, 4-methylbenzenesulfonate (1:1)
Property Insights of Benzenamine, 4-methylbenzenesulfonate (1:1)
The XLogP value of 2.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-methylbenzenesulfonate (1:1). The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Benzenamine, 4-methylbenzenesulfonate (1:1) 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 Benzenamine, 4-methylbenzenesulfonate (1:1)?
The CAS number of Benzenamine, 4-methylbenzenesulfonate (1:1) is 14034-57-2.
What is the molecular formula of Benzenamine, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Benzenamine, 4-methylbenzenesulfonate (1:1) is C13H15NO3S.
What is the molecular weight of Benzenamine, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Benzenamine, 4-methylbenzenesulfonate (1:1) is 265.08 g/mol.
Where can I buy Benzenamine, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Benzenamine, 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.