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CAS 629-94-7 Heneicosane [Standard Material for GC] molecular structure lightbox
CAS RN: 629-94-7

Heneicosane [Standard Material for GC]

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250609 1g In stock Inquiry
  • Product code: SSC-172318
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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: 25g
  • Available purity: 99.5%
  • 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 629-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g 99.5% 0 Out of Stock Shenzhen Inquiry

629-94-7 / henicosane

Standard CAS: 629-94-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
629-94-7
Multi CAS
Yes
Molecular Formula
C21H44
Molecular Weight
296.600000
Exact Mass
296.344301
InChI
InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKey
FNAZRRHPUDJQCJ-UHFFFAOYSA-N

Physical Properties

Melting Point
104.9 °F (NTP, 1992) 40.4 °C
Boiling Point
673.7 °F at 760 mmHg (NTP, 1992) 359 °C
Density
0.7917 at 68 °F (NTP, 1992) - Less dense than water; will float 0.7919 g/cu cm at 20 °C
Physical Description
Crystals. (NTP, 1992) Solid; [CAMEO] White crystalline solid
Appearance
Crystals from water White solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
18
Molar refractivity
99.07
TPSA
0.0000

LogP / Solubility

WLOGP
8.44
MLOGP
7.44
XLogP3
11
Consensus LogP
8.96
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.75
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)
1.46

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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