CAS RN: 14060-30-1
yttrium(3+) orthoborate
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS14060-30-1
- Purity/Analytical Methods: >99.0%
14060-30-1 / yttrium(3+) borate
Basic Information
CAS
14060-30-1
Multi CAS
No
Molecular Formula
BO3Y
Molecular Weight
147.720000
Exact Mass
147.899887
SMILES
B([O-])([O-])[O-].[Y+3]
InChI
InChI=1S/BO3.Y/c2-1(3)4;/q-3;+3
InChIKey
FERAQKHYRHQYKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
3
Molar refractivity
5.75
TPSA
69.18
LogP / Solubility
WLOGP
-3.95
MLOGP
-3.48
XLogP3
-3.95
Consensus LogP
-3.79
Log S (ESOL)
1.73
Class (ESOL)
Highly soluble
Log S (Ali)
2.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.66
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)
-6.43
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
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