Octadecyl p-Toluenesulfonate
TL;DR: Octadecyl p-Toluenesulfonate (CAS 65956-63-0) is a chemical compound with molecular formula C25H44O3S and molecular weight 424.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 4-methylbenzenesulfonate
Also Known As: Octadecyl p-Toluenesulfonate, Octadecyl 4-methylbenzenesulfonate, Oryzanol, p-Toluenesulfonic acid n-octadecyl ester, stearyl-p-toluenesulfonate
| Molecular Formula | C25H44O3S |
|---|---|
| Molecular Weight | 424.30 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 424.30112 |
| Heavy Atoms | 29 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 65956-63-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | IZSBVVGANRHKEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecyl p-Toluenesulfonate (CAS 65956-63-0), with molecular formula C25H44O3S and molecular weight 424.30 g/mol. IUPAC: octadecyl 4-methylbenzenesulfonate.
Chemical Property Profile of Octadecyl p-Toluenesulfonate
Property Insights of Octadecyl p-Toluenesulfonate
The XLogP value of 10.3 indicates that Octadecyl 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, Octadecyl p-Toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl p-Toluenesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecyl p-Toluenesulfonate?
The CAS number of Octadecyl p-Toluenesulfonate is 65956-63-0.
What is the molecular formula of Octadecyl p-Toluenesulfonate?
The molecular formula of Octadecyl p-Toluenesulfonate is C25H44O3S.
What is the molecular weight of Octadecyl p-Toluenesulfonate?
The molecular weight of Octadecyl p-Toluenesulfonate is 424.30 g/mol.
Where can I buy Octadecyl p-Toluenesulfonate?
You can request a quote for Octadecyl p-Toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl p-Toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl p-Toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.