Butyl-p-toluenesulfonate
TL;DR: Butyl-p-toluenesulfonate (CAS 778-28-9) is a chemical compound with molecular formula C11H16O3S and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-methylbenzenesulfonate
Also Known As: Butyl 4-methylbenzenesulfonate, Butyl tosylate, Butyl p-toluenesulfonate, butyltosylate, n-butyl tosylate
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 778-28-9 |
|---|---|
| SMILES | CCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | QYJXDIUNDMRLAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl-p-toluenesulfonate (CAS 778-28-9), with molecular formula C11H16O3S and molecular weight 228.08 g/mol. IUPAC: butyl 4-methylbenzenesulfonate.
Chemical Property Profile of Butyl-p-toluenesulfonate
Property Insights of Butyl-p-toluenesulfonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl-p-toluenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Butyl-p-toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl-p-toluenesulfonate has 0 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 Butyl-p-toluenesulfonate?
The CAS number of Butyl-p-toluenesulfonate is 778-28-9.
What is the molecular formula of Butyl-p-toluenesulfonate?
The molecular formula of Butyl-p-toluenesulfonate is C11H16O3S.
What is the molecular weight of Butyl-p-toluenesulfonate?
The molecular weight of Butyl-p-toluenesulfonate is 228.08 g/mol.
Where can I buy Butyl-p-toluenesulfonate?
You can request a quote for Butyl-p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Butyl-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.