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CAS 30683-77-3 2-Hydroxycyclohexanecarbonitrile molecular structure lightbox
CAS RN: 30683-77-3

2-Hydroxycyclohexanecarbonitrile

  • Product code: SSC-135544
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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 30683-77-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

30683-77-3 / 2-hydroxycyclohexane-1-carbonitrile

Standard CAS: 30683-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30683-77-3
Multi CAS
No
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
InChI
InChI=1S/C7H11NO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-4H2
InChIKey
MFPCXQNVYPKUSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.58
TPSA
44.02

LogP / Solubility

WLOGP
1.06
MLOGP
0.92
XLogP3
1.3
Consensus LogP
1.09
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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