![CAS 54283-65-7 Bis[(Z)-3-(2,4-dimethoxyphenyl)-2-butenoic acid]magnesium salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54283-65-7.gif)
CAS RN: 54283-65-7
Bis[(Z)-3-(2,4-dimethoxyphenyl)-2-butenoic acid]magnesium salt
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260501 | 100g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS54283-65-7
- Purity/Analytical Methods: >99.0%
54283-65-7 / magnesium bis(3-(2,4-dimethoxyphenyl)but-2-enoate)
Basic Information
CAS
54283-65-7
Multi CAS
Yes
Molecular Formula
C24H26MgO8
Molecular Weight
466.800000
Exact Mass
466.147810
InChI
InChI=1S/2C12H14O4.Mg/c2*1-8(6-12(13)14)10-5-4-9(15-2)7-11(10)16-3;/h2*4-7H,1-3H3,(H,13,14);/q;;+2/p-2/b2*8-6-;
InChIKey
NRMWCJKNPLZLMY-HIGYRTBYSA-L
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
122.16
TPSA
117.18
LogP / Solubility
WLOGP
1.33
MLOGP
1.21
XLogP3
1.33
Consensus LogP
1.29
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-4.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
5-HYDROXY-2,2-DIMETHYL-2H-CHROMENE-6-CARBALDEHYDE
- CAS RN: 54287-99-9
- Product Code: SSC-161919
-
2-(chloromethyl)-1-methylpyrrolidinium chloride
- CAS RN: 54288-69-6
- Product Code: SSC-161920
-
