n-Octyl p-Toluenesulfonate
TL;DR: n-Octyl p-Toluenesulfonate (CAS 3386-35-4) is a chemical compound with molecular formula C15H24O3S and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 4-methylbenzenesulfonate
Also Known As: Octyl 4-methylbenzenesulfonate, n-Octyl p-Toluenesulfonate, p-Toluenesulfonic Acid n-Octyl Ester, octyl p-toluenesulfonate, n-Octyl-p-toluolsulfonat
| Molecular Formula | C15H24O3S |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 284.14462 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 3386-35-4 |
|---|---|
| SMILES | CCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | LYQJBZLAANNIER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Octyl p-Toluenesulfonate (CAS 3386-35-4), with molecular formula C15H24O3S and molecular weight 284.14 g/mol. IUPAC: octyl 4-methylbenzenesulfonate.
Chemical Property Profile of n-Octyl p-Toluenesulfonate
Property Insights of n-Octyl p-Toluenesulfonate
The XLogP value of 4.9 indicates that n-Octyl 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, n-Octyl p-Toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Octyl 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 n-Octyl p-Toluenesulfonate?
The CAS number of n-Octyl p-Toluenesulfonate is 3386-35-4.
What is the molecular formula of n-Octyl p-Toluenesulfonate?
The molecular formula of n-Octyl p-Toluenesulfonate is C15H24O3S.
What is the molecular weight of n-Octyl p-Toluenesulfonate?
The molecular weight of n-Octyl p-Toluenesulfonate is 284.14 g/mol.
Where can I buy n-Octyl p-Toluenesulfonate?
You can request a quote for n-Octyl p-Toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Octyl p-Toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for n-Octyl p-Toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.