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CAS 15961-23-6 CARBOXYETHYLTRICHLOROGERMANE molecular structure lightbox
CAS RN: 15961-23-6

CARBOXYETHYLTRICHLOROGERMANE

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Batchno.20250106 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15961-23-6
  • Purity/Analytical Methods: >99.0%
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15961-23-6 / 3-trichlorogermylpropanoic acid

Standard CAS: 15961-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15961-23-6
Multi CAS
No
Molecular Formula
C3H5Cl3GeO2
Molecular Weight
252.100000
Exact Mass
251.856690
SMILES
C(C[Ge](Cl)(Cl)Cl)C(=O)O
InChI
InChI=1S/C3H5Cl3GeO2/c4-7(5,6)2-1-3(8)9/h1-2H2,(H,8,9)
InChIKey
NLIJOIUVZBYQRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.37
TPSA
37.3

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.12
Consensus LogP
2.04
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

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

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