CAS RN: 14284-92-5
Rhodium(III) 2,4-pentanedionate
Product Availability
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16 package records13 with current stock5 grade groups
- Product code: starshine_CAS14284-92-5
- Purity/Analytical Methods: >99.0%
14284-92-5 / tris((Z)-4-oxopent-2-en-2-olate);rhodium(3+)
Basic Information
CAS
14284-92-5
Multi CAS
No
Molecular Formula
C15H21O6Rh
Molecular Weight
400.230000
Exact Mass
400.039310
SMILES
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Rh+3]
InChI
InChI=1S/3C5H8O2.Rh/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3+;
InChIKey
DGOINFUDFBWCMX-MUCWUPSWSA-K
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
73.31
TPSA
120.39
LogP / Solubility
WLOGP
-0.48
MLOGP
-0.4
XLogP3
-0.48
Consensus LogP
-0.45
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-5.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (91.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (91.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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