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CAS 17786-31-1 DODECACARBONYLTETRACOBALT molecular structure lightbox
CAS RN: 17786-31-1

DODECACARBONYLTETRACOBALT

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250708 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251122 250mg In stock Chengdu Inquiry
Batchno.20260310 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS17786-31-1
  • Purity/Analytical Methods: >99.0%
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17786-31-1 / carbon monoxide;cobalt

Standard CAS: 17786-31-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
17786-31-1
Multi CAS
No
Molecular Formula
C12Co4O12
Molecular Weight
571.850000
Exact Mass
571.671750
SMILES
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co]
InChI
InChI=1S/12CO.4Co/c12*1-2;;;;
InChIKey
YMFAWOSEDSLYSZ-UHFFFAOYSA-N

Physical Properties

Physical Description
Black crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
H-bond acceptors
12
Molar refractivity
47.15
TPSA
238.8

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.36
XLogP3
-0.46
Consensus LogP
-0.43
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-6.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Flammable Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P210, P240, P241, P261, P264, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P333+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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