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CAS 6006-95-7 Pentadecylcyclohexane molecular structure lightbox
CAS RN: 6006-95-7

Pentadecylcyclohexane

  • Product code: SSC-168639
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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: ≥98%
  • 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 6006-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

6006-95-7 / pentadecylcyclohexane

Standard CAS: 6006-95-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6006-95-7
Multi CAS
Yes
Molecular Formula
C21H42
Molecular Weight
294.600000
Exact Mass
294.328651
InChI
InChI=1S/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h21H,2-20H2,1H3
InChIKey
ZNUABQHWFGTOCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
14
Molar refractivity
96.89
TPSA
0.0000

LogP / Solubility

WLOGP
8.05
MLOGP
7.09
XLogP3
11.1
Consensus LogP
8.75
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.93
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)
1.2

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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