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CAS 646-31-1 Tetracosane [Standard Material for GC] molecular structure lightbox
CAS RN: 646-31-1

Tetracosane [Standard Material for GC]

  • Product code: SSC-174320
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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 646-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

646-31-1 / tetracosane

Standard CAS: 646-31-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
646-31-1
Multi CAS
No
Molecular Formula
C24H50
Molecular Weight
338.700000
Exact Mass
338.391252
InChI
InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
POOSGDOYLQNASK-UHFFFAOYSA-N

Physical Properties

Melting Point
126 °F (NTP, 1992) 50.3 °C 54 °C
Boiling Point
736.3 °F at 760 mmHg (NTP, 1992) 391 °C 390.00 to 392.00 °C. @ 760.00 mm Hg
Density
0.7991 at 68 °F (NTP, 1992) - Less dense than water; will float 0.7991 g/cu cm at 20 °C Density: 0.779 g/cu cm (51/4C)
Physical Description
N-tetracosane is a crystalline waxy solid. Insoluble in water. Used in organic synthesis. Waxy solid; [CAMEO] White crystalline solid; Solid
Appearance
Crystals Crystals from ether White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
21
Molar refractivity
112.92
TPSA
0.0000

LogP / Solubility

WLOGP
9.61
MLOGP
8.47
XLogP3
12.6
Consensus LogP
10.23
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-9.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.36
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
No
Log Kp (skin permeation)
2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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