p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate
TL;DR: p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate (CAS 3559-06-6) is a chemical compound with molecular formula C17H21NO5S2 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl-(4-methylphenyl)sulfonylamino]ethyl 4-methylbenzenesulfonate
Also Known As: (Methylenebis(thio))bisbenzene, N,O-Ditosyl-N-methylethanolamine, N-Methyl-N,O-ditosylethanolamine, p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate, 2-[Methyl(4-tolylsulfonyl)amino]ethyl toluene-4-sulfonate
| Molecular Formula | C17H21NO5S2 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.08612 |
| Heavy Atoms | 25 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 3559-06-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C)CCOS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | HPBQZTVKXNNOSF-UHFFFAOYSA-N |
Product Overview
p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate (CAS 3559-06-6), with molecular formula C17H21NO5S2 and molecular weight 383.09 g/mol. IUPAC: 2-[methyl-(4-methylphenyl)sulfonylamino]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate
Property Insights of p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate. Following Lipinski's Rule of Five, p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate has 0 hydrogen bond donor(s) and 6 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 p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate?
The CAS number of p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate is 3559-06-6.
What is the molecular formula of p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate?
The molecular formula of p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate is C17H21NO5S2.
What is the molecular weight of p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate?
The molecular weight of p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate is 383.09 g/mol.
Where can I buy p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate?
You can request a quote for p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.