Ethyl 5-(Benzyloxy)-3-oxopentanoate - CAS 64714-79-0
Catalog: |
BB032544 |
Product Name: |
Ethyl 5-(Benzyloxy)-3-oxopentanoate |
CAS: |
64714-79-0 |
Synonyms: |
3-oxo-5-phenylmethoxypentanoic acid ethyl ester; ethyl 3-oxo-5-phenylmethoxypentanoate |
IUPAC Name: | ethyl 3-oxo-5-phenylmethoxypentanoate |
Description: | Ethyl 5-(Benzyloxy)-3-oxopentanoate (CAS# 64714-79-0) is derived from Ethyl Acetoacetate (E899545), which is a chemical intermediate used in the production of various analgesics, antibiotics and antimalarial agents. |
Molecular Weight: | 250.29 |
Molecular Formula: | C14H18O4 |
Canonical SMILES: | CCOC(=O)CC(=O)CCOCC1=CC=CC=C1 |
InChI: | InChI=1S/C14H18O4/c1-2-18-14(16)10-13(15)8-9-17-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
InChI Key: | XXYYVXDQSFMEPX-UHFFFAOYSA-N |
LogP: | 2.11560 |
Publication Number | Title | Priority Date |
WO-2020123855-A1 | Inhibitor compounds for male contraception | 20181212 |
WO-2020119590-A1 | 3-cyanopyridine compound, pharmaceutical composition comprising same, preparation method therefor, and uses thereof. | 20181211 |
CN-111303146-A | 3-cyanopyridine compound, pharmaceutical composition containing same, preparation method and application thereof | 20181211 |
WO-2017133670-A1 | Pyridine and pyrimidine derivatives and their use in treatment, amelioration or prevention of influenza | 20160205 |
EP-3299371-A1 | Hydroxyl purine compounds and use thereof | 20150520 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.12050905 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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