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CAS 638-68-6 Triacontane molecular structure lightbox
CAS RN: 638-68-6

Triacontane

  • Product code: SSC-173579
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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 638-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

638-68-6 / triacontane

Standard CAS: 638-68-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
638-68-6
Multi CAS
No
Molecular Formula
C30H62
Molecular Weight
422.800000
Exact Mass
422.485152
InChI
InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
JXTPJDDICSTXJX-UHFFFAOYSA-N

Physical Properties

Melting Point
150.4 °F (NTP, 1992) 65.9 °C
Boiling Point
841.5 °F at 760 mmHg (NTP, 1992) 451 °C
Density
0.775 at 172 °F (NTP, 1992) - Less dense than water; will float 0.8097 g/cu cm at 20 °C
Physical Description
Aliphatic hydrocarbon waxy solid. Waxy solid; [CAMEO] White flakes
Appearance
Orthorhombic crystals from ether, benzene
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
1
Rotatable bonds
27
Molar refractivity
140.62
TPSA
0.0000

LogP / Solubility

WLOGP
11.95
MLOGP
10.54
XLogP3
15.8
Consensus LogP
12.76
Log S (ESOL)
-8.21
Class (ESOL)
Insoluble
Log S (Ali)
-11.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.57
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
Yes
Log Kp (skin permeation)
3.18

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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