CAS RN: 34822-89-4

CYCLOPENTADIENYLINDIUM (I)

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  • Product code: starshine_CAS34822-89-4
  • Purity/Analytical Methods: >99.0%
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34822-89-4 / CYCLOPENTADIENYLINDIUM (I)

Standard CAS: 34822-89-4 Multi CAS: Yes

Basic Information

CAS
34822-89-4
Multi CAS
Yes
Molecular Formula
C5H10In
Molecular Weight
184.950000
Exact Mass
184.982129
InChI
InChI=1S/C5H10.In/c1-2-4-5-3-1;/h1-5H2;
InChIKey
OOHGQQIAQJXRJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Molar refractivity
28.84
TPSA
0.0000

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.57
Consensus LogP
1.51
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.73

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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