十四烷基-4-甲基苯磺酸酯
TL;DR: 十四烷基-4-甲基苯磺酸酯 (CAS 72927-96-9) is a chemical compound with molecular formula C21H36O3S and molecular weight 368.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十四烷基-4-甲基苯磺酸酯
tetradecyl 4-methylbenzenesulfonate
Also Known As: tetradecyl tosylate, tetradecyl 4-methylbenzenesulfonate, tetradecyl 4-methylbenzene-1-sulfonate, p-Toluenesulfonic acid tetradecyl ester, 1-(4-Methylphenyl)sulfonyloxytetradecane
| Molecular Formula | C21H36O3S |
|---|---|
| Molecular Weight | 368.24 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 368.23853 |
| Heavy Atoms | 25 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 72927-96-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | CMUAZOCPWSISRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十四烷基-4-甲基苯磺酸酯 (CAS 72927-96-9), with molecular formula C21H36O3S and molecular weight 368.24 g/mol. IUPAC: tetradecyl 4-methylbenzenesulfonate.
Chemical Property Profile of 十四烷基-4-甲基苯磺酸酯
Property Insights of 十四烷基-4-甲基苯磺酸酯
The XLogP value of 8.1 indicates that 十四烷基-4-甲基苯磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 十四烷基-4-甲基苯磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十四烷基-4-甲基苯磺酸酯 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 十四烷基-4-甲基苯磺酸酯?
The CAS number of 十四烷基-4-甲基苯磺酸酯 is 72927-96-9.
What is the molecular formula of 十四烷基-4-甲基苯磺酸酯?
The molecular formula of 十四烷基-4-甲基苯磺酸酯 is C21H36O3S.
What is the molecular weight of 十四烷基-4-甲基苯磺酸酯?
The molecular weight of 十四烷基-4-甲基苯磺酸酯 is 368.24 g/mol.
Where can I buy 十四烷基-4-甲基苯磺酸酯?
You can request a quote for 十四烷基-4-甲基苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十四烷基-4-甲基苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 十四烷基-4-甲基苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.