Selenophosphoric acid O,O'-diethyl ester Se-phenyl ester

ID: ALA3263304

Chembl Id: CHEMBL3263304

PubChem CID: 11781329

Max Phase: Preclinical

Molecular Formula: C10H15O3PSe

Molecular Weight: 293.16

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCOP(=O)(OCC)[Se]c1ccccc1

Standard InChI:  InChI=1S/C10H15O3PSe/c1-3-12-14(11,13-4-2)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Standard InChI Key:  AOLJKBVMEYRITN-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3263304

   Diethoxyphosphorylselanylbenzene

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

Calculated Properties

Molecular Weight: 293.16

Molecular Weight (Monoisotopic): 293.9924

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Mitra S, Mukherjee S, Sen SK, Hajra A..  (2014)  Environmentally benign synthesis and antimicrobial study of novel chalcogenophosphates.,  24  (9): [PMID:24685541] [10.1016/j.bmcl.2014.03.008]

2. Mailahn DH,Iarocz LEB,Nobre PC,Perin G,Sinott A,Pesarico AP,Birmann PT,Savegnago L,Silva MS.  (2021)  A greener protocol for the synthesis of phosphorochalcogenoates: Antioxidant and free radical scavenging activities.,  213  [PMID:33272781] [10.1016/j.ejmech.2020.113052]

Source

Source(1):

• Scientific Literature