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CAS 5238-22-2 Bis(2-ethylhexyl) Suberate molecular structure lightbox
CAS RN: 5238-22-2

Bis(2-ethylhexyl) Suberate

  • Product code: SSC-159481
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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: 25ml
  • Available purity: ≥98%
  • 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 5238-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥98% 0 Out of Stock Shanghai Inquiry

5238-22-2 / bis(2-ethylhexyl) octanedioate

Standard CAS: 5238-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5238-22-2
Multi CAS
No
Molecular Formula
C24H46O4
Molecular Weight
398.600000
Exact Mass
398.339610
InChI
InChI=1S/C24H46O4/c1-5-9-15-21(7-3)19-27-23(25)17-13-11-12-14-18-24(26)28-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3
InChIKey
FTALILOVQKMLBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.92
Rotatable bonds
19
H-bond acceptors
4
Molar refractivity
116.23
TPSA
52.6

LogP / Solubility

WLOGP
6.85
MLOGP
6.05
XLogP3
7.9
Consensus LogP
6.93
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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