![ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate structure](/static/products/119/1190848-27-1.png)
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate
TL;DR: ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate (CAS 1190848-27-1) is a chemical compound with molecular formula C12H17F3O4S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate
Also Known As: ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate, ethyl 1-hydroxy-2,2-dimethyl-5-(trifluoromethyl)-4-oxa-6-thiabicyclo[3.2.1]octane-7-carboxylate
| Molecular Formula | C12H17F3O4S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.1011 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.07996 |
| Heavy Atoms | 20 |
| Complexity | 425.4157 |
Chemical Identifiers
| CAS Number | 1190848-27-1 |
|---|---|
| SMILES | CCOC(=O)C1C2(CC(S1)(OCC2(C)C)C(F)(F)F)O |
Product Overview
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate (CAS 1190848-27-1), with molecular formula C12H17F3O4S and molecular weight 314.08 g/mol. IUPAC: ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate.
Chemical Property Profile of ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate
Property Insights of ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate
The XLogP value of 2.1011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate. With a topological polar surface area (TPSA) of 55.76 Ų, ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate has 1 hydrogen bond donor(s) and 5 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 ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate?
The CAS number of ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate is 1190848-27-1.
What is the molecular formula of ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate?
The molecular formula of ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate is C12H17F3O4S.
What is the molecular weight of ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate?
The molecular weight of ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate is 314.08 g/mol.
Where can I buy ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate?
You can request a quote for ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.