Benzenesulfonic acid, methyloctadecyl-
TL;DR: Benzenesulfonic acid, methyloctadecyl- (CAS 57999-09-4) is a chemical compound with molecular formula C25H44O3S and molecular weight 424.30112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-octadecylbenzenesulfonic acid
Also Known As: 4-methyl-3-octadecylbenzenesulfonic acid, Methyloctadecylbenzenesulphonic acid, Benzenesulfonic acid, methyloctadecyl-, Methyloctadecylbenzenesulfonic acid, Benzenesulfonic acid,methyloctadecyl-
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H44O3S |
| Molecular Weight | 424.30112 g/mol |
| XLogP | 10.5 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 424.30112 Da |
| Heavy Atoms | 29 |
| Complexity | 469.0 |
| SMILES | CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)O)C |
| InChIKey | XOMLNUXJIAKVNE-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonic acid, methyloctadecyl-
Property Insights of Benzenesulfonic acid, methyloctadecyl-
The XLogP value of 10.5 indicates that Benzenesulfonic acid, methyloctadecyl- 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, methyloctadecyl-. Following Lipinski's Rule of Five, Benzenesulfonic acid, methyloctadecyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, methyloctadecyl-?
The CAS number of Benzenesulfonic acid, methyloctadecyl- is 57999-09-4.
What is the molecular formula of Benzenesulfonic acid, methyloctadecyl-?
The molecular formula of Benzenesulfonic acid, methyloctadecyl- is C25H44O3S.
What is the molecular weight of Benzenesulfonic acid, methyloctadecyl-?
The molecular weight of Benzenesulfonic acid, methyloctadecyl- is 424.30112 g/mol.
Where can I buy Benzenesulfonic acid, methyloctadecyl-?
You can request a quote for Benzenesulfonic acid, methyloctadecyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonic acid, methyloctadecyl-?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonic acid, methyloctadecyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.