Decyl benzenesulfonate
TL;DR: Decyl benzenesulfonate (CAS 41233-31-2) is a chemical compound with molecular formula C16H26O3S and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl benzenesulfonate
Also Known As: decyl benzenesulfonate, decyl-benzene sulfonate, 1-(benzenesulfonyloxy)decane, Benzenesulfonic acid, decyl este, Benzenesulfonic acid decyl ester
| Molecular Formula | C16H26O3S |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 298.16028 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 41233-31-2 |
|---|---|
| SMILES | CCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | PUBNPKMXGRPTQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl benzenesulfonate (CAS 41233-31-2), with molecular formula C16H26O3S and molecular weight 298.16 g/mol. IUPAC: decyl benzenesulfonate.
Chemical Property Profile of Decyl benzenesulfonate
Property Insights of Decyl benzenesulfonate
The XLogP value of 5.7 indicates that Decyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Decyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl benzenesulfonate 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 Decyl benzenesulfonate?
The CAS number of Decyl benzenesulfonate is 41233-31-2.
What is the molecular formula of Decyl benzenesulfonate?
The molecular formula of Decyl benzenesulfonate is C16H26O3S.
What is the molecular weight of Decyl benzenesulfonate?
The molecular weight of Decyl benzenesulfonate is 298.16 g/mol.
Where can I buy Decyl benzenesulfonate?
You can request a quote for Decyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Decyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.