Benzenesulfonic acid, 4-(1-ethyltridecyl)-
TL;DR: Benzenesulfonic acid, 4-(1-ethyltridecyl)- (CAS 107514-80-7) 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.
4-pentadecan-3-ylbenzenesulfonic acid
Also Known As: 4-pentadecan-3-ylbenzenesulfonic Acid, Benzenesulfonic acid, 4-(1-ethyltridecyl)-, 4-(Pentadecan-3-yl)benzene-1-sulfonic acid
| Molecular Formula | C21H36O3S |
|---|---|
| Molecular Weight | 368.24 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 368.23853 |
| Heavy Atoms | 25 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 107514-80-7 |
|---|---|
| SMILES | CCCCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | LBECBDBROSKIAC-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-(1-ethyltridecyl)- (CAS 107514-80-7), with molecular formula C21H36O3S and molecular weight 368.24 g/mol. IUPAC: 4-pentadecan-3-ylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-(1-ethyltridecyl)-
Property Insights of Benzenesulfonic acid, 4-(1-ethyltridecyl)-
The XLogP value of 8.3 indicates that Benzenesulfonic acid, 4-(1-ethyltridecyl)- 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 Benzenesulfonic acid, 4-(1-ethyltridecyl)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-(1-ethyltridecyl)- 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 Benzenesulfonic acid, 4-(1-ethyltridecyl)-?
The CAS number of Benzenesulfonic acid, 4-(1-ethyltridecyl)- is 107514-80-7.
What is the molecular formula of Benzenesulfonic acid, 4-(1-ethyltridecyl)-?
The molecular formula of Benzenesulfonic acid, 4-(1-ethyltridecyl)- is C21H36O3S.
What is the molecular weight of Benzenesulfonic acid, 4-(1-ethyltridecyl)-?
The molecular weight of Benzenesulfonic acid, 4-(1-ethyltridecyl)- is 368.24 g/mol.
Where can I buy Benzenesulfonic acid, 4-(1-ethyltridecyl)-?
You can request a quote for Benzenesulfonic acid, 4-(1-ethyltridecyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-(1-ethyltridecyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-(1-ethyltridecyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.