2-苯基十二烷对磺酸酯
TL;DR: 2-苯基十二烷对磺酸酯 (CAS 18777-53-2) is a chemical compound with molecular formula C18H30O3S and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯基十二烷对磺酸酯
4-dodecan-2-ylbenzenesulfonic acid
Also Known As: C12-2-phenyl-las, 2-Phenyldodecane-p-sulfonate, LABSA, Alkylbenzenesulfonate, linear, Alkylbenzene sulfonic acid
| Molecular Formula | C18H30O3S |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.19156 |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 18777-53-2 |
|---|---|
| SMILES | CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | CJTZDYDOPZRFTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯基十二烷对磺酸酯 (CAS 18777-53-2), with molecular formula C18H30O3S and molecular weight 326.19 g/mol. IUPAC: 4-dodecan-2-ylbenzenesulfonic acid.
Chemical Property Profile of 2-苯基十二烷对磺酸酯
Property Insights of 2-苯基十二烷对磺酸酯
The XLogP value of 6.7 indicates that 2-苯基十二烷对磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-苯基十二烷对磺酸酯. Following Lipinski's Rule of Five, 2-苯基十二烷对磺酸酯 has 1 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 2-苯基十二烷对磺酸酯?
The CAS number of 2-苯基十二烷对磺酸酯 is 18777-53-2.
What is the molecular formula of 2-苯基十二烷对磺酸酯?
The molecular formula of 2-苯基十二烷对磺酸酯 is C18H30O3S.
What is the molecular weight of 2-苯基十二烷对磺酸酯?
The molecular weight of 2-苯基十二烷对磺酸酯 is 326.19 g/mol.
Where can I buy 2-苯基十二烷对磺酸酯?
You can request a quote for 2-苯基十二烷对磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯基十二烷对磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-苯基十二烷对磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.