1-(4-甲基苯磺酸)十六烷醇酯
TL;DR: 1-(4-甲基苯磺酸)十六烷醇酯 (CAS 6068-28-6) is a chemical compound with molecular formula C23H40O3S and molecular weight 396.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-甲基苯磺酸)十六烷醇酯
hexadecyl 4-methylbenzenesulfonate
Also Known As: cetyl tosylate, Hexadecyl tosylate, hexadecyl 4-methylbenzenesulfonate, 1-Hexadecyl p-tosylate, Cetyl p-toluenesulfonate
| Molecular Formula | C23H40O3S |
|---|---|
| Molecular Weight | 396.27 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 396.2698 |
| Heavy Atoms | 27 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 6068-28-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | RXHIZFMFPLHZDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-甲基苯磺酸)十六烷醇酯 (CAS 6068-28-6), with molecular formula C23H40O3S and molecular weight 396.27 g/mol. IUPAC: hexadecyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1-(4-甲基苯磺酸)十六烷醇酯
Property Insights of 1-(4-甲基苯磺酸)十六烷醇酯
The XLogP value of 9.2 indicates that 1-(4-甲基苯磺酸)十六烷醇酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 1-(4-甲基苯磺酸)十六烷醇酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-甲基苯磺酸)十六烷醇酯 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 1-(4-甲基苯磺酸)十六烷醇酯?
The CAS number of 1-(4-甲基苯磺酸)十六烷醇酯 is 6068-28-6.
What is the molecular formula of 1-(4-甲基苯磺酸)十六烷醇酯?
The molecular formula of 1-(4-甲基苯磺酸)十六烷醇酯 is C23H40O3S.
What is the molecular weight of 1-(4-甲基苯磺酸)十六烷醇酯?
The molecular weight of 1-(4-甲基苯磺酸)十六烷醇酯 is 396.27 g/mol.
Where can I buy 1-(4-甲基苯磺酸)十六烷醇酯?
You can request a quote for 1-(4-甲基苯磺酸)十六烷醇酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-甲基苯磺酸)十六烷醇酯?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-甲基苯磺酸)十六烷醇酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.