CAS RN: 28595-67-7
GERMANIUM CHLORIDE DIOXANE COMPLEX (1:1)
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3 package records3 with current stock2 grade groups
- Product code: starshine_CAS28595-67-7
- Purity/Analytical Methods: >99.0%
28595-67-7 / GERMANIUM CHLORIDE DIOXANE COMPLEX (1:1)
Basic Information
CAS
28595-67-7
Multi CAS
Yes
Molecular Formula
C4H8Cl2GeO2
Molecular Weight
231.640000
Exact Mass
231.911313
InChI
InChI=1S/C4H8O2.Cl2Ge/c1-2-6-4-3-5-1;1-3-2/h1-4H2;
InChIKey
NYMJLNHIEKAQSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
39.1
TPSA
18.46
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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