N-Butyl-o-toluenesulphonamide
TL;DR: N-Butyl-o-toluenesulphonamide (CAS 71436-88-9) is a chemical compound with molecular formula C11H17NO2S and molecular weight 227.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-methylbenzenesulfonamide
Also Known As: N-Butyl-o-toluenesulphonamide, N-butyltoluensulfonamide, EINECS 275-448-5, N-butyl-2-methylbenzenesulfonamide, N-Butyl-2-methylbenzene-1-sulfonamide
| Molecular Formula | C11H17NO2S |
|---|---|
| Molecular Weight | 227.10 g/mol |
| LogP | 2.07342 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.098 |
| Heavy Atoms | 15 |
| Complexity | 412.351 |
Chemical Identifiers
| CAS Number | 71436-88-9 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=CC=CC=C1C |
Product Overview
N-Butyl-o-toluenesulphonamide (CAS 71436-88-9), with molecular formula C11H17NO2S and molecular weight 227.10 g/mol. IUPAC: N-butyl-2-methylbenzenesulfonamide.
Chemical Property Profile of N-Butyl-o-toluenesulphonamide
Property Insights of N-Butyl-o-toluenesulphonamide
The XLogP value of 2.07342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-o-toluenesulphonamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-Butyl-o-toluenesulphonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-o-toluenesulphonamide has 1 hydrogen bond donor(s) and 2 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 N-Butyl-o-toluenesulphonamide?
The CAS number of N-Butyl-o-toluenesulphonamide is 71436-88-9.
What is the molecular formula of N-Butyl-o-toluenesulphonamide?
The molecular formula of N-Butyl-o-toluenesulphonamide is C11H17NO2S.
What is the molecular weight of N-Butyl-o-toluenesulphonamide?
The molecular weight of N-Butyl-o-toluenesulphonamide is 227.10 g/mol.
Where can I buy N-Butyl-o-toluenesulphonamide?
You can request a quote for N-Butyl-o-toluenesulphonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-o-toluenesulphonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-o-toluenesulphonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.