CAS RN: 84665-66-7
Monoperoxyphthalic Acid Magnesium Salt Hexahydrate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260617 | 1g / 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong | 5-7 business days | Inquiry |
- Product code: ICTM0927
- Purity/Analytical Methods: >65.0%(T)
84665-66-7 / magnesium;bis(2-carboxybenzenecarboperoxoate);hexahydrate
Basic Information
CAS
84665-66-7
Multi CAS
Yes
Molecular Formula
C16H22MgO16
Molecular Weight
494.600000
Exact Mass
494.075826
InChI
InChI=1S/2C8H6O5.Mg.6H2O/c2*9-7(10)5-3-1-2-4-6(5)8(11)13-12;;;;;;;/h2*1-4,12H,(H,9,10);;6*1H2/q;;+2;;;;;;/p-2
InChIKey
WWOYCMCZTZTIGU-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
105.07
TPSA
362.32
LogP / Solubility
WLOGP
-5.7
MLOGP
-4.98
XLogP3
-5.7
Consensus LogP
-5.46
Log S (ESOL)
0.68
Class (ESOL)
Highly soluble
Log S (Ali)
0.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.37
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)
-9.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Diisobutylaluminum Hydride (19% in Hexane, ca. 1.0mol/L)
- CAS RN: 1191-15-7
- Product Code: ICTD2971
-
-
-
-
-
