CAS RN: 13768-11-1
Perrhenic acid
Product Availability
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2 package records2 with current stock2 grade groups
- Product code: starshine_CAS13768-11-1
- Purity/Analytical Methods: >99.0%
13768-11-1 / hydroxy(trioxo)rhenium
Basic Information
CAS
13768-11-1
Multi CAS
No
Molecular Formula
HO4Re
Molecular Weight
251.210000
Exact Mass
251.943236
SMILES
O[Re](=O)(=O)=O
InChI
InChI=1S/H2O.3O.Re/h1H2;;;;/q;;;;+1/p-1
InChIKey
UGSFIVDHFJJCBJ-UHFFFAOYSA-M
Physical Properties
Physical Description
75-80% Aqueous solution: Colorless or yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
4.28
TPSA
71.44
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.8
XLogP3
-0.92
Consensus LogP
-0.88
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H290 (75.3%): May be corrosive to metals [Warning Corrosive to Metals]
H302 (74.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (75.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501
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