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CAS 22349-03-7 Nonadecylcyclohexane molecular structure lightbox
CAS RN: 22349-03-7

Nonadecylcyclohexane

  • Product code: SSC-108973
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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 22349-03-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

22349-03-7 / nonadecylcyclohexane

Standard CAS: 22349-03-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22349-03-7
Multi CAS
No
Molecular Formula
C25H50
Molecular Weight
350.700000
Exact Mass
350.391252
SMILES
CCCCCCCCCCCCCCCCCCCC1CCCCC1
InChI
InChI=1S/C25H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h25H,2-24H2,1H3
InChIKey
YVTPTBVYGTYTKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
18
Molar refractivity
115.36
TPSA
0.0000

LogP / Solubility

WLOGP
9.61
MLOGP
8.47
XLogP3
13.3
Consensus LogP
10.46
Log S (ESOL)
-6.88
Class (ESOL)
Insoluble
Log S (Ali)
-9.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.07
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)
1.96

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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