CAS RN: 14926-08-0
Magnesium-p-aminobenzoate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINM905509
14926-08-0 / magnesium bis(4-aminobenzoate)
Basic Information
CAS
14926-08-0
Multi CAS
No
Molecular Formula
C14H12MgN2O4
Molecular Weight
296.560000
Exact Mass
296.064749
SMILES
C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N.[Mg+2]
InChI
InChI=1S/2C7H7NO2.Mg/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,8H2,(H,9,10);/q;;+2/p-2
InChIKey
OTVYDGYIWXTHKT-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
76.12
TPSA
132.3
LogP / Solubility
WLOGP
-1.12
MLOGP
-0.97
XLogP3
-1.12
Consensus LogP
-1.07
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-5.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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