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CAS 35344-11-7 PENTAMETHYLCYCLOPENTADIENYLIRON DICARBONYL DIMER molecular structure lightbox
CAS RN: 35344-11-7

PENTAMETHYLCYCLOPENTADIENYLIRON DICARBONYL DIMER

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Batchno.20260223 1g Out of stock Inquiry
  • Product code: starshine_CAS35344-11-7
  • Purity/Analytical Methods: >99.0%
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35344-11-7 / PENTAMETHYLCYCLOPENTADIENYLIRON DICARBONYL DIMER

Standard CAS: 35344-11-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35344-11-7
Multi CAS
Yes
Molecular Formula
C24H30FE2O4
Molecular Weight
494.200000
Exact Mass
494.084281
InChI
InChI=1S/2C10H15.4CO.2Fe/c2*1-6-7(2)9(4)10(5)8(6)3;4*1-2;;/h2*1-5H3;;;;;;
InChIKey
UXGBSDPRTITVSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.42
H-bond acceptors
4
Molar refractivity
107.05
TPSA
79.6

LogP / Solubility

WLOGP
6.38
MLOGP
5.65
XLogP3
6.38
Consensus LogP
6.14
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-8.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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