Tridecan-1-yl benzenesulphonate
TL;DR: Tridecan-1-yl benzenesulphonate (CAS 25474-61-7) is a chemical compound with molecular formula C19H32O3S and molecular weight 340.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tridecyl benzenesulfonate
Also Known As: tridecyl benzenesulfonate, Tridecan-1-yl benzenesulphonate, tridecylbenzenesulfonate, 1-Tridecanol benzenesulfonate, tridecyl benzenesulphonate
| Molecular Formula | C19H32O3S |
|---|---|
| Molecular Weight | 340.21 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 340.2072 |
| Heavy Atoms | 23 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 25474-61-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | KRTNITDCKAVIFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tridecan-1-yl benzenesulphonate (CAS 25474-61-7), with molecular formula C19H32O3S and molecular weight 340.21 g/mol. IUPAC: tridecyl benzenesulfonate.
Chemical Property Profile of Tridecan-1-yl benzenesulphonate
Property Insights of Tridecan-1-yl benzenesulphonate
The XLogP value of 7.3 indicates that Tridecan-1-yl benzenesulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Tridecan-1-yl benzenesulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tridecan-1-yl benzenesulphonate 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 Tridecan-1-yl benzenesulphonate?
The CAS number of Tridecan-1-yl benzenesulphonate is 25474-61-7.
What is the molecular formula of Tridecan-1-yl benzenesulphonate?
The molecular formula of Tridecan-1-yl benzenesulphonate is C19H32O3S.
What is the molecular weight of Tridecan-1-yl benzenesulphonate?
The molecular weight of Tridecan-1-yl benzenesulphonate is 340.21 g/mol.
Where can I buy Tridecan-1-yl benzenesulphonate?
You can request a quote for Tridecan-1-yl benzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tridecan-1-yl benzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Tridecan-1-yl benzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.