Cyclohexyl p-toluenesulfonate
TL;DR: Cyclohexyl p-toluenesulfonate (CAS 953-91-3) is a chemical compound with molecular formula C13H18O3S and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-methylbenzenesulfonate
Also Known As: Cyclohexyl p-toluenesulfonate, Cyclohexyl 4-methylbenzenesulfonate, CYCLOHEXYL TOSYLATE, Cyclohexyl p-tosylate, cyclohexyltosylate
| Molecular Formula | C13H18O3S |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.09767 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 953-91-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2 |
| InChIKey | OHHPZPDQZMUTCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl p-toluenesulfonate (CAS 953-91-3), with molecular formula C13H18O3S and molecular weight 254.10 g/mol. IUPAC: cyclohexyl 4-methylbenzenesulfonate.
Chemical Property Profile of Cyclohexyl p-toluenesulfonate
Property Insights of Cyclohexyl p-toluenesulfonate
The XLogP value of 3.4 indicates that Cyclohexyl p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Cyclohexyl p-toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl 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 Cyclohexyl p-toluenesulfonate?
The CAS number of Cyclohexyl p-toluenesulfonate is 953-91-3.
What is the molecular formula of Cyclohexyl p-toluenesulfonate?
The molecular formula of Cyclohexyl p-toluenesulfonate is C13H18O3S.
What is the molecular weight of Cyclohexyl p-toluenesulfonate?
The molecular weight of Cyclohexyl p-toluenesulfonate is 254.10 g/mol.
Where can I buy Cyclohexyl p-toluenesulfonate?
You can request a quote for Cyclohexyl p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.