Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-
TL;DR: Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- (CAS 99903-50-1) is a chemical compound with molecular formula C12H8F12O2 and molecular weight 412.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-ethyl (1R,3R)-2,2-bis(trifluoromethyl)-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-, Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-, Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-, ethyl ester, trans-, Ethyl (1R,3R)-2,2-bis(trifluoromethyl)-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-yl]cyclopropane-1-carboxylate, ethyl (1R,3R)-2,2-bis(trifluoromethyl)-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carboxylate
| Molecular Formula | C12H8F12O2 |
|---|---|
| Molecular Weight | 412.03 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.03326 |
| Heavy Atoms | 26 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 99903-50-1 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@H](C1(C(F)(F)F)C(F)(F)F)C=C(C(F)(F)F)C(F)(F)F |
| InChIKey | QAQGSADHWJWRFU-XINAWCOVSA-N |
Product Overview
Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- (CAS 99903-50-1), with molecular formula C12H8F12O2 and molecular weight 412.03 g/mol. IUPAC: cis-ethyl (1R,3R)-2,2-bis(trifluoromethyl)-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-
Property Insights of Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-
The XLogP value of 5.4 indicates that Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-?
The CAS number of Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- is 99903-50-1.
What is the molecular formula of Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-?
The molecular formula of Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- is C12H8F12O2.
What is the molecular weight of Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-?
The molecular weight of Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- is 412.03 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-?
You can request a quote for Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 2,2-bis(trifluoromethyl)-3-(3,3,3-trifluoro-2- (trifluoromethyl)-1-propenyl)-, ethyl ester, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.