对甲苯磺酰苯胺
TL;DR: 对甲苯磺酰苯胺 (CAS 68-34-8) 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.
对甲苯磺酰苯胺
4-methyl-N-phenylbenzenesulfonamide
Also Known As: p-TOLUENESULFONANILIDE, N-Tosylaniline, 4-Methyl-N-phenylbenzenesulfonamide, Tosylaniline, p-Toluenesulfonylanilide
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 68-34-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 |
| InChIKey | VLVCWODDMDGANW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲苯磺酰苯胺 (CAS 68-34-8), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 4-methyl-N-phenylbenzenesulfonamide.
Chemical Property Profile of 对甲苯磺酰苯胺
Property Insights of 对甲苯磺酰苯胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对甲苯磺酰苯胺. With a topological polar surface area (TPSA) of 54.6 Ų, 对甲苯磺酰苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲苯磺酰苯胺 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 对甲苯磺酰苯胺?
The CAS number of 对甲苯磺酰苯胺 is 68-34-8.
What is the molecular formula of 对甲苯磺酰苯胺?
The molecular formula of 对甲苯磺酰苯胺 is C13H13NO2S.
What is the molecular weight of 对甲苯磺酰苯胺?
The molecular weight of 对甲苯磺酰苯胺 is 247.07 g/mol.
Where can I buy 对甲苯磺酰苯胺?
You can request a quote for 对甲苯磺酰苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲苯磺酰苯胺?
Yes, KEHONG BIO provides custom synthesis services for 对甲苯磺酰苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.