CAS RN: 56792-69-9
(3,3-DIMETHYL-1-BUTYNE)DICOBALT HEXACARBONYL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56792-69-9
- Purity/Analytical Methods: >99.0%
56792-69-9 / carbon monoxide;cobalt;3,3-dimethylbut-1-yne
Basic Information
CAS
56792-69-9
Multi CAS
Yes
Molecular Formula
C13H10O8
Molecular Weight
368.070000
Exact Mass
367.914125
InChI
InChI=1S/C6H10.6CO.2Co/c1-5-6(2,3)4;6*1-2;;/h1H,2-4H3;;;;;;;;
InChIKey
ZJCVAZZKJPVOPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
51.87
TPSA
119.4
LogP / Solubility
WLOGP
1.44
MLOGP
1.28
XLogP3
1.44
Consensus LogP
1.39
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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