Propyl p-toluenesulfonate
TL;DR: Propyl p-toluenesulfonate (CAS 599-91-7) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-methylbenzenesulfonate
Also Known As: Propyl p-toluenesulfonate, Propyl 4-methylbenzenesulfonate, Propyl tosylate, Propyl toluene-4-sulphonate, propanol tosylate
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 599-91-7 |
|---|---|
| SMILES | CCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | JTTWNTXHFYNETH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl p-toluenesulfonate (CAS 599-91-7), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: propyl 4-methylbenzenesulfonate.
Chemical Property Profile of Propyl p-toluenesulfonate
Property Insights of Propyl p-toluenesulfonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl p-toluenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Propyl p-toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl p-toluenesulfonate?
The CAS number of Propyl p-toluenesulfonate is 599-91-7.
What is the molecular formula of Propyl p-toluenesulfonate?
The molecular formula of Propyl p-toluenesulfonate is C10H14O3S.
What is the molecular weight of Propyl p-toluenesulfonate?
The molecular weight of Propyl p-toluenesulfonate is 214.07 g/mol.
Where can I buy Propyl p-toluenesulfonate?
You can request a quote for Propyl p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Propyl p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.