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CAS 24730-90-3 4-(Hydroxymethyl)-4-methylcyclohexanone molecular structure lightbox
CAS RN: 24730-90-3

4-(Hydroxymethyl)-4-methylcyclohexanone

  • Product code: SSC-119780
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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 24730-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

24730-90-3 / 4-(hydroxymethyl)-4-methylcyclohexan-1-one

Standard CAS: 24730-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24730-90-3
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
SMILES
CC1(CCC(=O)CC1)CO
InChI
InChI=1S/C8H14O2/c1-8(6-9)4-2-7(10)3-5-8/h9H,2-6H2,1H3
InChIKey
QABRYCPHHDMONB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.67
TPSA
37.3

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.4
Consensus LogP
0.84
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.79

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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