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CAS 42236-50-0 1,12-Diacetoxydodecane molecular structure lightbox
CAS RN: 42236-50-0

1,12-Diacetoxydodecane

  • Product code: SSC-150570
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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: 5g
  • 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 42236-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

42236-50-0 / 12-acetyloxydodecyl acetate

Standard CAS: 42236-50-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42236-50-0
Multi CAS
No
Molecular Formula
C16H30O4
Molecular Weight
286.410000
Exact Mass
286.214409
InChI
InChI=1S/C16H30O4/c1-15(17)19-13-11-9-7-5-3-4-6-8-10-12-14-20-16(2)18/h3-14H2,1-2H3
InChIKey
VSQSFRDZIRKBEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.88
Rotatable bonds
13
H-bond acceptors
4
Molar refractivity
79.44
TPSA
52.6

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
4.7
Consensus LogP
4.08
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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