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CAS 67746-30-9 trans-2-Hexen-1-al Diethyl Acetal molecular structure lightbox
CAS RN: 67746-30-9

trans-2-Hexen-1-al Diethyl Acetal

  • Product code: SSC-177493
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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: ≥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 67746-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥95% 0 Out of Stock Beijing Inquiry

67746-30-9 / 1,1-diethoxyhex-2-ene

Standard CAS: 67746-30-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67746-30-9
Multi CAS
Yes
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
InChI
InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3
InChIKey
WMQKYHTZGYIHHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.8
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
51.09
TPSA
18.46

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

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

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