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CAS 7423-42-9 MALEIC ACID MONO(2-ETHYLHEXYL) ESTER molecular structure lightbox
CAS RN: 7423-42-9

MALEIC ACID MONO(2-ETHYLHEXYL) ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS7423-42-9
  • Purity/Analytical Methods: >99.0%
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7423-42-9 / 4-(2-ethylhexoxy)-4-oxobut-2-enoic acid

Standard CAS: 7423-42-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7423-42-9
Multi CAS
Yes
Molecular Formula
C12H20O4
Molecular Weight
228.280000
Exact Mass
228.136159
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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