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CAS 7098-22-8 Tetratetracontane molecular structure lightbox
CAS RN: 7098-22-8

Tetratetracontane

  • Product code: SSC-180673
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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 7098-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

7098-22-8 / tetratetracontane

Standard CAS: 7098-22-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7098-22-8
Multi CAS
No
Molecular Formula
C44H90
Molecular Weight
619.200000
Exact Mass
618.704253
InChI
InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
InChIKey
KMXFZRSJMDYPPG-UHFFFAOYSA-N

Physical Properties

Physical Description
Light yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
1
Rotatable bonds
41
Molar refractivity
205.26
TPSA
0.0000

LogP / Solubility

WLOGP
17.41
MLOGP
15.37
XLogP3
23.4
Consensus LogP
18.73
Log S (ESOL)
-11.94
Class (ESOL)
Insoluble
Log S (Ali)
-17.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-23.06
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)
5.86

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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