CAS RN: 79973-42-5
BIS(PENTAMETHYLCYCLOPENTADIENYL)COBALT(III) HEXAFLUOROPHOSPHATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260310 | 200mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS79973-42-5
- Purity/Analytical Methods: >99.0%
79973-42-5 / cobalt(3+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);hexafluorophosphate
Basic Information
CAS
79973-42-5
Multi CAS
Yes
Molecular Formula
C21F6H30OP
Molecular Weight
474.300000
Exact Mass
474.132125
InChI
InChI=1S/2C10H15.Co.F6P/c2*1-6-7(2)9(4)10(5)8(6)3;;1-7(2,3,4,5)6/h2*1-5H3;;/q2*-1;+3;-1
InChIKey
DOQRAQJBROXALI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.5
H-bond acceptors
9
Molar refractivity
105.01
TPSA
0.0000
LogP / Solubility
WLOGP
9.28
MLOGP
8.2
XLogP3
9.28
Consensus LogP
8.92
Log S (ESOL)
-8.89
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.97
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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