![CAS 1370461-06-5 sra-[(2E)-2-butenedioato(2-)hydroxy aluminium] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1370461-06-5.gif)
CAS RN: 1370461-06-5
sra-[(2E)-2-butenedioato(2-)hydroxy aluminium]
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250614 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1370461-06-5
- Purity/Analytical Methods: >99.0%
1370461-06-5 / aluminum;(E)-but-2-enedioate;hydroxide
Basic Information
CAS
1370461-06-5
Multi CAS
No
Molecular Formula
C4H3AlO5
Molecular Weight
158.040000
Exact Mass
157.979587
SMILES
C(=C/C(=O)[O-])\C(=O)[O-].[OH-].[Al+3]
InChI
InChI=1S/C4H4O4.Al.H2O/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;1H2/q;+3;/p-3/b2-1+;;
InChIKey
PEOCKXGXSYFWMI-SEPHDYHBSA-K
Computed Properties
Structural Parameters
Heavy atom count
10
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
26.84
TPSA
110.26
LogP / Solubility
WLOGP
-3.52
MLOGP
-3.1
XLogP3
-3.52
Consensus LogP
-3.38
Log S (ESOL)
1.53
Class (ESOL)
Highly soluble
Log S (Ali)
1.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.99
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)
-6.18
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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