CAS RN: 24804-31-7
CALCIUM OXALATE HYDRATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS24804-31-7
- Purity/Analytical Methods: >99.0%
24804-31-7 / calcium;oxalate;hydrate
Basic Information
CAS
24804-31-7
Multi CAS
Yes
Molecular Formula
C2H2CaO5
Molecular Weight
146.110000
Exact Mass
145.952814
InChI
InChI=1S/C2H2O4.Ca.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2
InChIKey
LQHWSGSWNOHVHO-UHFFFAOYSA-L
Physical Properties
Physical Description
Solid; [Merck Index] White hygroscopic powder or lumps; Odorless
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
19.38
TPSA
111.76
LogP / Solubility
WLOGP
-4.72
MLOGP
-4.16
XLogP3
-4.72
Consensus LogP
-4.53
Log S (ESOL)
2.23
Class (ESOL)
Highly soluble
Log S (Ali)
2.65
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.31
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)
-6.96
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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