Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate
TL;DR: Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate (CAS 231285-90-8) is a chemical compound with molecular formula C8H8F6O4 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 3-O-methyl 2,2-bis(trifluoromethyl)propanedioate
Also Known As: Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate, 1-O-ethyl 3-O-methyl 2,2-bis(trifluoromethyl)propanedioate, 1-ethyl 3-methyl 2,2-bis(trifluoromethyl)propanedioate
| Molecular Formula | C8H8F6O4 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 1.8335 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.03268 |
| Heavy Atoms | 18 |
| Complexity | 317.45935 |
Chemical Identifiers
| CAS Number | 231285-90-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OC)(C(F)(F)F)C(F)(F)F |
Product Overview
Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate (CAS 231285-90-8), with molecular formula C8H8F6O4 and molecular weight 282.03 g/mol. IUPAC: 1-O-ethyl 3-O-methyl 2,2-bis(trifluoromethyl)propanedioate.
Chemical Property Profile of Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate
Property Insights of Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate
The XLogP value of 1.8335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate has 0 hydrogen bond donor(s) and 4 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 methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate?
The CAS number of Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate is 231285-90-8.
What is the molecular formula of Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate?
The molecular formula of Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate is C8H8F6O4.
What is the molecular weight of Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate?
The molecular weight of Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate is 282.03 g/mol.
Where can I buy Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate?
You can request a quote for Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl methyl 2,2-bis(trifluoromethyl)propane-1,3-dioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.