CAS RN: 106566-58-9

AMMONIUM TRICHLORO[1,2-ETHANEDIOLATO-O,O’]-TELLURATE

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15 package records14 with current stock4 grade groups
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  • Product code: starshine_CAS106566-58-9
  • Purity/Analytical Methods: >99.0%
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106566-58-9 / AMMONIUM TRICHLORO[1,2-ETHANEDIOLATO-O,O’]-TELLURATE

ethylene glycol; tellurium(4+) | Tellurate(1-), trichloro[1,2-ethanediolato(2-)-.kappa.O,.kappa.O']-,ammonium, (SP-5-22)-

Standard CAS: 106566-58-9 Multi CAS: Yes

Basic Information

CAS
106566-58-9
Multi CAS
Yes
Molecular Formula
C2H8Cl3NO2Te+
Molecular Weight
312.000000
Exact Mass
312.868284
SMILES
C1CO[Te](O1)(Cl)(Cl)Cl.[NH4+]
InChI
InChI=1S/C2H4Cl3O2Te.H3N/c3-8(4,5)6-1-2-7-8;/h1-2H2;1H3/p+1
InChIKey
JKJLHRGACLEQMQ-UHFFFAOYSA-O
Synonyms
ethylene glycol; tellurium(4+) Tellurate(1-), trichloro[1,2-ethanediolato(2-)-.kappa.O,.kappa.O']-,ammonium, (SP-5-22)-

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.2
TPSA
54.96

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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