JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

྾

Home
Compounds
ALA2270395

ethylene glycol diformate

ID: ALA2270395

Cas Number: 629-15-2

PubChem CID: 12376

Product Number: E693502, Order Now?

Max Phase: Preclinical

Molecular Formula: C4H6O4

Molecular Weight: 118.09

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

This product is currently unavailable

Names and Identifiers

Canonical SMILES: O=COCCOC=O

Standard InChI: InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2

Standard InChI Key: IKCQWKJZLSDDSS-UHFFFAOYSA-N

Molfile:

     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
   18.3049   -7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0140   -7.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8909   -7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1818   -7.2825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5999   -7.2825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4281   -7.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1371   -7.6911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7231   -7.6911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  4  2  0
  3  5  1  0
  1  5  1  0
  6  7  2  0
  6  8  1  0
  2  8  1  0
M  END

Alternative Forms

Parent:

ALA2270395
Ethylene glycol diformate

Associated Targets(non-human)

Drosophila melanogaster (359 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Molecule Features

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Drug Indications

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Calculated Properties

Molecular Weight: 118.09	Molecular Weight (Monoisotopic): 118.0266	AlogP: -0.67	#Rotatable Bonds: 5
Polar Surface Area: 52.60	Molecular Species: ┄	HBA: 4	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): 4	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: -0.42	CX LogD: -0.42
Aromatic Rings: ┄	Heavy Atoms: 8	QED Weighted: 0.35	Np Likeness Score: 0.69

References

1. Song C, Scharf ME.. (2009) Mitochondrial impacts of insecticidal formate esters in insecticide-resistant and insecticide-susceptible Drosophila melanogaster., 65 (6): [PMID:19278021] [10.1002/ps.1747]

Source

Source(1):

Scientific Literature

🔙[Back to Compounds]