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CAS 766-05-2 Cyclohexanecarbonitrile molecular structure lightbox
CAS RN: 766-05-2

Cyclohexanecarbonitrile

  • Product code: SSC-186013
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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: ≥97%
  • 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 766-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

766-05-2 / cyclohexanecarbonitrile

Standard CAS: 766-05-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
766-05-2
Multi CAS
Yes
Molecular Formula
C7H11N
Molecular Weight
109.170000
Exact Mass
109.089149
InChI
InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey
VBWIZSYFQSOUFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.86
H-bond acceptors
1
Molar refractivity
32.19
TPSA
23.79

LogP / Solubility

WLOGP
2.09
MLOGP
1.83
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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