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CAS 290347-66-9 (-)-1,1′-BIS((2S,4S)-2,4-DIETHYLPHOSPHOTANO)FERROCENE molecular structure lightbox
CAS RN: 290347-66-9

(-)-1,1′-BIS((2S,4S)-2,4-DIETHYLPHOSPHOTANO)FERROCENE

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4 package records0 with current stock1 grade group
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Batchno.20251105 100mg Out of stock Inquiry
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  • Product code: starshine_CAS290347-66-9
  • Purity/Analytical Methods: >99.0%
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290347-66-9 / (-)-1,1′-BIS((2S,4S)-2,4-DIETHYLPHOSPHOTANO)FERROCENE

Standard CAS: 290347-66-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
290347-66-9
Multi CAS
Yes
Molecular Formula
C24H36FEP2
Molecular Weight
442.300000
Exact Mass
442.164161
InChI
InChI=1S/2C12H18P.Fe/c2*1-3-10-9-11(4-2)13(10)12-7-5-6-8-12;/h2*5-8,10-11H,3-4,9H2,1-2H3;/t2*10-,11-;/m00./s1
InChIKey
CASVFTKJBSCSOD-XTQNZXNBSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.58
Rotatable bonds
6
Molar refractivity
122.44
TPSA
0.0000

LogP / Solubility

WLOGP
8.17
MLOGP
7.22
XLogP3
8.17
Consensus LogP
7.85
Log S (ESOL)
-7.33
Class (ESOL)
Insoluble
Log S (Ali)
-9.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.04
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)
0.38

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
5

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