CAS RN: 74507-62-3
BIS(PENTAMETHYLCYCLOPENTADIENYL)COBALT
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS74507-62-3
- Purity/Analytical Methods: >99.0%
74507-62-3 / cobalt;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane
Basic Information
CAS
74507-62-3
Multi CAS
Yes
Molecular Formula
C20H30CO-6
Molecular Weight
329.400000
Exact Mass
329.167944
InChI
InChI=1S/2C10H15.Co/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q-5;-1;
InChIKey
CFRWJIYCJRVUSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.5
H-bond acceptors
6
Molar refractivity
91.44
TPSA
0.0000
LogP / Solubility
WLOGP
5.89
MLOGP
5.2
XLogP3
5.89
Consensus LogP
5.66
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
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
No
Log Kp (skin permeation)
-0.55
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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