1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate
TL;DR: 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate (CAS 35972-90-8) is a chemical compound with molecular formula C12H13F5O4S and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethoxy-2,2,3,3,3-pentafluoropropyl) 4-methylbenzenesulfonate
Also Known As: 2,2,3,3,3-Pentafluoro-1-ethoxy-1-tosyloxypropane, 1-Ethoxy-2,2,3,3,3-pentafluoropropyl-p-toluenesulfonic acid, 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate, 1-Ethoxy-2,2,3,3,3-pentafluoro-1-propanol p-toluenesulfonate, 1-Ethoxy-2,2,3,3,3-pentafluoropropyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C12H13F5O4S |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.04547 |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 35972-90-8 |
|---|---|
| SMILES | CCOC(C(C(F)(F)F)(F)F)OS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | ZGRJEYBQEBLZGJ-UHFFFAOYSA-N |
Product Overview
1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate (CAS 35972-90-8), with molecular formula C12H13F5O4S and molecular weight 348.05 g/mol. IUPAC: (1-ethoxy-2,2,3,3,3-pentafluoropropyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate
Property Insights of 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate
The XLogP value of 3.7 indicates that 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate. Following Lipinski's Rule of Five, 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate?
The CAS number of 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate is 35972-90-8.
What is the molecular formula of 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate?
The molecular formula of 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate is C12H13F5O4S.
What is the molecular weight of 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate?
The molecular weight of 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate is 348.05 g/mol.
Where can I buy 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate?
You can request a quote for 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 1-ethoxy-2,2,3,3,3-pentafluoro-, p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.