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CAS 645-72-7 3,7,11,15-Tetramethylhexadecan-1-ol molecular structure lightbox
CAS RN: 645-72-7

3,7,11,15-Tetramethylhexadecan-1-ol

  • Product code: SSC-174253
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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 645-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

645-72-7 / 3,7,11,15-tetramethylhexadecan-1-ol

Standard CAS: 645-72-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
645-72-7
Multi CAS
No
Molecular Formula
C20H42O
Molecular Weight
298.500000
Exact Mass
298.323566
InChI
InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3
InChIKey
AJAKLDUGVSKVDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
95.59
TPSA
20.23

LogP / Solubility

WLOGP
6.44
MLOGP
5.68
XLogP3
8.5
Consensus LogP
6.87
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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