CAS RN: 14285-68-8
RHENIUM CARBONYL
Product Availability
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5 package records5 with current stock2 grade groups
- Product code: starshine_CAS14285-68-8
- Purity/Analytical Methods: >99.0%
14285-68-8 / carbon monoxide;rhenium
Basic Information
CAS
14285-68-8
Multi CAS
No
Molecular Formula
C10O10Re2
Molecular Weight
652.510000
Exact Mass
651.857860
SMILES
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]
InChI
InChI=1S/10CO.2Re/c10*1-2;;
InChIKey
ZIZHEHXAMPQGEK-UHFFFAOYSA-N
Physical Properties
Physical Description
White to light yellow powder; Insoluble in water; Not flammable
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
H-bond acceptors
10
Molar refractivity
39.29
TPSA
199
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.28
XLogP3
-0.38
Consensus LogP
-0.35
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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)
-6.97
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)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]
H332 (86.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P301+P316, P304+P340, P317, P321, P330, P405, and P501
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