p-Toluenesulfonic acid 1-methylheptyl ester
TL;DR: p-Toluenesulfonic acid 1-methylheptyl ester (CAS 1028-12-2) is a chemical compound with molecular formula C15H24O3S and molecular weight 284.14462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octan-2-yl 4-methylbenzenesulfonate
Also Known As: 2-octyl tosylate, 2-(Tosyloxy)octane, 1-methylheptyl p-toluenesulfonate, p-toluenesulfonic acid 1-methylheptyl ester, 1-methylheptyl p-toluene sulfonate
Technical Specifications
| Molecular Formula | C15H24O3S |
| Molecular Weight | 284.14462 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 284.14462 Da |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
| SMILES | CCCCCCC(C)OS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | XXDKRMQJHKMZPC-UHFFFAOYSA-N |
Chemical Property Profile of p-Toluenesulfonic acid 1-methylheptyl ester
Property Insights of p-Toluenesulfonic acid 1-methylheptyl ester
The XLogP value of 4.9 indicates that p-Toluenesulfonic acid 1-methylheptyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, p-Toluenesulfonic acid 1-methylheptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluenesulfonic acid 1-methylheptyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-Toluenesulfonic acid 1-methylheptyl ester?
The CAS number of p-Toluenesulfonic acid 1-methylheptyl ester is 1028-12-2.
What is the molecular formula of p-Toluenesulfonic acid 1-methylheptyl ester?
The molecular formula of p-Toluenesulfonic acid 1-methylheptyl ester is C15H24O3S.
What is the molecular weight of p-Toluenesulfonic acid 1-methylheptyl ester?
The molecular weight of p-Toluenesulfonic acid 1-methylheptyl ester is 284.14462 g/mol.
Where can I buy p-Toluenesulfonic acid 1-methylheptyl ester?
You can request a quote for p-Toluenesulfonic acid 1-methylheptyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Toluenesulfonic acid 1-methylheptyl ester?
Yes, CoreyChem provides custom synthesis services for p-Toluenesulfonic acid 1-methylheptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.