CAS RN: 12741-05-8
Yttrium(III) chloride hydrate
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS12741-05-8
- Purity/Analytical Methods: >99.0%
12741-05-8 / trichloroyttrium;hydrate
Basic Information
CAS
12741-05-8
Multi CAS
No
Molecular Formula
Cl3H2OY
Molecular Weight
213.280000
Exact Mass
211.822961
SMILES
O.Cl[Y](Cl)Cl
InChI
InChI=1S/3ClH.H2O.Y/h3*1H;1H2;/q;;;;+3/p-3
InChIKey
BWOAAAYNOWWMHL-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
21.17
TPSA
31.5
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.24
Consensus LogP
1.19
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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