Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester
TL;DR: Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester (CAS 122433-30-1) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzoxazol-2-yl)ethyl 4-methylbenzenesulfonate
Also Known As: 1-(1,3-benzoxazol-2-yl)ethyl 4-methylbenzene-1-sulfonate, 2-[1-(4-methylphenyl)sulfonyloxyethyl]benzooxazole, 1-(1,3-benzoxazol-2-yl)ethyl 4-methylbenzenesulfonate, TOLUENE-4-SULFONIC ACID 1-BENZOOXAZOL-2-YL-ETHYL ESTER, 2-Benzoxazolemethanol, I+/--methyl-, 2-(4-methylbenzenesulfonate)
Technical Specifications
| Molecular Formula | C16H15NO4S |
| Molecular Weight | 317.07217 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.07217 Da |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2=NC3=CC=CC=C3O2 |
| InChIKey | SOAGIQPQAMJVHP-UHFFFAOYSA-N |
Chemical Property Profile of Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester
Property Insights of Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester
The XLogP value of 3.3 indicates that Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester. Following Lipinski's Rule of Five, Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester?
The CAS number of Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester is 122433-30-1.
What is the molecular formula of Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester?
The molecular formula of Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester is C16H15NO4S.
What is the molecular weight of Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester?
The molecular weight of Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester is 317.07217 g/mol.
Where can I buy Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester?
You can request a quote for Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester?
Yes, CoreyChem provides custom synthesis services for Toluene-4-sulfonic acid 1-benzooxazol-2-YL-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.