2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate
TL;DR: 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate (CAS 155639-44-4) is a chemical compound with molecular formula C17H20O5S and molecular weight 336.10315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dimethoxyphenyl)ethyl 4-methylbenzenesulfonate
Also Known As: 2-(2,5-dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate, p-Toluenesulfonic acid 2,5-dimethoxyphenethyl ester, 2-(2,5-dimethoxyphenyl)ethyl 4-methylbenzenesulfonate
Technical Specifications
| Molecular Formula | C17H20O5S |
| Molecular Weight | 336.10315 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.10315 Da |
| Heavy Atoms | 23 |
| Complexity | 436.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(C=CC(=C2)OC)OC |
| InChIKey | MQQWABSHWVAYKC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate
Property Insights of 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate
The XLogP value of 3.5 indicates that 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate 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 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate?
The CAS number of 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate is 155639-44-4.
What is the molecular formula of 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate?
The molecular formula of 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate is C17H20O5S.
What is the molecular weight of 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate?
The molecular weight of 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate is 336.10315 g/mol.
Where can I buy 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate?
You can request a quote for 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate?
Yes, CoreyChem provides custom synthesis services for 2-(2,5-Dimethoxyphenyl)ethyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.