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CAS 59568-28-4 BIS(TETRAMETHYLCYCLOPENTADIENYL)IRON molecular structure lightbox
CAS RN: 59568-28-4

BIS(TETRAMETHYLCYCLOPENTADIENYL)IRON

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 100mg In stock Shanghai Inquiry
Batchno.20260411 1g In stock Shanghai Inquiry
Batchno.20251211 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS59568-28-4
  • Purity/Analytical Methods: >99.0%
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59568-28-4 / 1,2,3,4-tetramethylcyclopentane

Standard CAS: 59568-28-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59568-28-4
Multi CAS
Yes
Molecular Formula
C9H18
Molecular Weight
126.240000
Exact Mass
126.140851
InChI
InChI=1S/C9H18/c1-6-5-7(2)9(4)8(6)3/h6-9H,5H2,1-4H3
InChIKey
INYXDKODFMWKER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Molar refractivity
41.27
TPSA
0.0000

LogP / Solubility

WLOGP
2.93
MLOGP
2.57
XLogP3
3.7
Consensus LogP
3.07
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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