5-Methyl-sorbic Acid Ethyl Ester - CAS 10231-96-6
Catalog: |
BB059504 |
Product Name: |
5-Methyl-sorbic Acid Ethyl Ester |
CAS: |
10231-96-6 |
Synonyms: |
Ethyl 5-Methyl-2,4-hexadienoate; 5-Methyl-2,4-hexadienoic Acid Ethyl Ester |
IUPAC Name: | ethyl (2E)-5-methylhexa-2,4-dienoate |
Description: | 5-Methyl-sorbic Acid Ethyl Ester is a derivative of Sorbic Acid (S676890), used in the preparation of aplasmomycin analogs as potential antimalarial agents. |
Molecular Weight: | 154.21 |
Molecular Formula: | C9H14O2 |
Canonical SMILES: | CCOC(=O)C=CC=C(C)C |
InChI: | InChI=1S/C9H14O2/c1-4-11-9(10)7-5-6-8(2)3/h5-7H,4H2,1-3H3/b7-5+ |
InChI Key: | WANQTLPABDXASE-FNORWQNLSA-N |
Solubility: | Chloroform, Dichloromethane, Ethyl Acetate |
Appearance: | Yellow Oil |
References: | Balu, N. et al. J. Med. Chem., 34, 2821 (1991). |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 154.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
-
Catalog: BB071775
((1R,4R)-4-(((tert-butyldimethylsilyl)oxy)methyl)cyclohexyl)methanol
Detail
-
Catalog: BB069924
((2S,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB069173
((1-Chloro-2-methylpropan-2-yl)oxy)trimethylsilane
Detail
-
Catalog: BB056966
(((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl)-L-arginine
Detail
-
Catalog: BB069928
((2S,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB072640
((2R,3S,4R,5R)-5-(4-(Benzyloxy)-2-oxopyridin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl bis(2-cyanoethyl) Phosphate
Detail
-
Catalog: BB067784
((1R,2R)-2-(2,3-Dihydrobenzofuran-4-yl)cyclopropyl)methanamine
Detail
-
Catalog: BB069927
((2R,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS