CAS RN: 62502-71-0
Glycerol-d5
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: starshine_CAS62502-71-0
- Purity/Analytical Methods: >99.0%
62502-71-0 / 1,1,2,3,3-pentadeuteriopropane-1,2,3-triol
Basic Information
CAS
62502-71-0
Multi CAS
Yes
Molecular Formula
C3H8O3
Molecular Weight
97.120000
Exact Mass
97.078728
InChI
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1D2,2D2,3D
InChIKey
PEDCQBHIVMGVHV-UXXIZXEISA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
20.18
TPSA
60.69
LogP / Solubility
WLOGP
-1.67
MLOGP
-1.48
XLogP3
-1.8
Consensus LogP
-1.65
Log S (ESOL)
0.77
Class (ESOL)
Highly soluble
Log S (Ali)
0.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.89
Class (SILICOS-IT)
Highly 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)
-4.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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