CAS RN: 15293-74-0
Lithium orthoborate
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS15293-74-0
- Purity/Analytical Methods: >99.0%
15293-74-0 / lithium;oxido(oxo)borane;dihydrate
Basic Information
CAS
15293-74-0
Multi CAS
No
Molecular Formula
BH4LiO4
Molecular Weight
85.800000
Exact Mass
86.036267
SMILES
[Li+].B(=O)[O-].O.O
InChI
InChI=1S/BO2.Li.2H2O/c2-1-3;;;/h;;2*1H2/q-1;+1;;
InChIKey
MAXQFCAELLTPNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
13.67
TPSA
103.13
LogP / Solubility
WLOGP
-6.33
MLOGP
-5.59
XLogP3
-6.33
Consensus LogP
-6.08
Log S (ESOL)
3.62
Class (ESOL)
Highly soluble
Log S (Ali)
4.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.04
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)
-7.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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