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CAS 28746-99-8 1′-Hydroxy-[1,1′-bi(cyclohexan)]-2-one molecular structure lightbox
CAS RN: 28746-99-8

1′-Hydroxy-[1,1′-bi(cyclohexan)]-2-one

Product Availability

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3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250218 100mg In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 100mg / 250mg / 1g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-130428
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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 28746-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

28746-99-8 / 2-(1-hydroxycyclohexyl)cyclohexan-1-one

Standard CAS: 28746-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28746-99-8
Multi CAS
No
Molecular Formula
C12H20O2
Molecular Weight
196.290000
Exact Mass
196.146330
SMILES
C1CCC(CC1)(C2CCCCC2=O)O
InChI
InChI=1S/C12H20O2/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h10,14H,1-9H2
InChIKey
AERVJOBGBMEFDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55
TPSA
37.3

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
1.9
Consensus LogP
2.16
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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