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CAS 5405-58-3 ACETALDEHYDE DI-N-HEXYL ACETAL molecular structure lightbox
CAS RN: 5405-58-3

ACETALDEHYDE DI-N-HEXYL ACETAL

  • Product code: SSC-161567
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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 5405-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

5405-58-3 / 1-(1-hexoxyethoxy)hexane

Standard CAS: 5405-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5405-58-3
Multi CAS
No
Molecular Formula
C14H30O2
Molecular Weight
230.390000
Exact Mass
230.224580
InChI
InChI=1S/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3
InChIKey
VSFOOCQEJQKBSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
69.65
TPSA
18.46

LogP / Solubility

WLOGP
4.53
MLOGP
3.99
XLogP3
5.1
Consensus LogP
4.54
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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)
-0.91

Drug-likeness / Medicinal Chemistry

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

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