CAS RN: 2370-71-0
MALEIC ACID MONO(2-ETHYLHEXYL) ESTER
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.20260318 | 5ml / 25ml | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2370-71-0
- Purity/Analytical Methods: >99.0%
2370-71-0 / 4-(2-ethylhexoxy)-4-oxobut-2-enoic acid
Basic Information
CAS
2370-71-0
Multi CAS
No
Molecular Formula
C12H20O4
Molecular Weight
228.280000
Exact Mass
228.136159
SMILES
CCCCC(CC)COC(=O)C=CC(=O)O
InChI
InChI=1S/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)
InChIKey
IQBLWPLYPNOTJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.04
TPSA
63.6
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
3
Consensus LogP
2.5
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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