Heptyl p-toluenesulfonate
TL;DR: Heptyl p-toluenesulfonate (CAS 24767-82-6) is a chemical compound with molecular formula C14H22O3S and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 4-methylbenzenesulfonate
Also Known As: Heptyl p-toluenesulfonate, Heptyl 4-methylbenzenesulfonate, p-Toluenesulfonic acid n-heptyl ester, Heptyl tosylate, Heptyl p-tosylate
| Molecular Formula | C14H22O3S |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.12897 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 24767-82-6 |
|---|---|
| SMILES | CCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | BQPVBPLMUCJNOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl p-toluenesulfonate (CAS 24767-82-6), with molecular formula C14H22O3S and molecular weight 270.13 g/mol. IUPAC: heptyl 4-methylbenzenesulfonate.
Chemical Property Profile of Heptyl p-toluenesulfonate
Property Insights of Heptyl p-toluenesulfonate
The XLogP value of 4.3 indicates that Heptyl 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, Heptyl p-toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl p-toluenesulfonate?
The CAS number of Heptyl p-toluenesulfonate is 24767-82-6.
What is the molecular formula of Heptyl p-toluenesulfonate?
The molecular formula of Heptyl p-toluenesulfonate is C14H22O3S.
What is the molecular weight of Heptyl p-toluenesulfonate?
The molecular weight of Heptyl p-toluenesulfonate is 270.13 g/mol.
Where can I buy Heptyl p-toluenesulfonate?
You can request a quote for Heptyl p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.