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CAS 53148-32-6 1,4-Cyclohexanedimethanol Bis(2-ethylhexanoate) (cis- and trans- mixture) molecular structure lightbox
CAS RN: 53148-32-6

1,4-Cyclohexanedimethanol Bis(2-ethylhexanoate) (cis- and trans- mixture)

  • Product code: SSC-160346
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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: 25g
  • 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 53148-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

53148-32-6 / [4-(2-ethylhexanoyloxymethyl)cyclohexyl]methyl 2-ethylhexanoate

Standard CAS: 53148-32-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53148-32-6
Multi CAS
Yes
Molecular Formula
C24H44O4
Molecular Weight
396.600000
Exact Mass
396.323960
InChI
InChI=1S/C24H44O4/c1-5-9-11-21(7-3)23(25)27-17-19-13-15-20(16-14-19)18-28-24(26)22(8-4)12-10-6-2/h19-22H,5-18H2,1-4H3
InChIKey
WZCWEBVKSPNNNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.92
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
113.98
TPSA
52.6

LogP / Solubility

WLOGP
6.31
MLOGP
5.58
XLogP3
7.4
Consensus LogP
6.43
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.16
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)
-0.66

Drug-likeness / Medicinal Chemistry

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

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