Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate
TL;DR: Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate (CAS 99903-44-3) is a chemical compound with molecular formula C13H18F6O4 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate
Also Known As: Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate, Ethyl (1R,3S)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 3-(diethoxymethyl)-2,2-bis(trifluoromethyl)-, ethyl ester, trans-
| Molecular Formula | C13H18F6O4 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.11093 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 99903-44-3 |
|---|---|
| SMILES | CCOC([C@@H]1[C@H](C1(C(F)(F)F)C(F)(F)F)C(=O)OCC)OCC |
| InChIKey | AOGSSUMXUIJOJD-YUMQZZPRSA-N |
Product Overview
Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate (CAS 99903-44-3), with molecular formula C13H18F6O4 and molecular weight 352.11 g/mol. IUPAC: trans-ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate
Property Insights of Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate
The XLogP value of 3.4 indicates that Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate has 0 hydrogen bond donor(s) and 10 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 (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate?
The CAS number of Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate is 99903-44-3.
What is the molecular formula of Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate?
The molecular formula of Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate is C13H18F6O4.
What is the molecular weight of Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate?
The molecular weight of Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate is 352.11 g/mol.
Where can I buy Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate?
You can request a quote for Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (1R,3R)-3-(diethoxymethyl)-2,2-bis(trifluoromethyl)cyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.