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CAS 2915-53-9 Dioctyl maleate molecular structure lightbox
CAS RN: 2915-53-9

Dioctyl maleate

  • Product code: SSC-131422
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2915-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2915-53-9 / dioctyl but-2-enedioate

Standard CAS: 2915-53-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2915-53-9
Multi CAS
Yes
Molecular Formula
C20H36O4
Molecular Weight
340.500000
Exact Mass
340.261360
InChI
InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3
InChIKey
TVWTZAGVNBPXHU-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.8
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
97.81
TPSA
52.6

LogP / Solubility

WLOGP
5.35
MLOGP
4.72
XLogP3
7
Consensus LogP
5.69
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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