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CAS 708274-26-4 4-Hydroxy-4-(5-pyrimidinyl)cyclohexanone molecular structure lightbox
CAS RN: 708274-26-4

4-Hydroxy-4-(5-pyrimidinyl)cyclohexanone

  • Product code: SSC-180549
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 708274-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

708274-26-4 / 4-hydroxy-4-pyrimidin-5-ylcyclohexan-1-one

Standard CAS: 708274-26-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
708274-26-4
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
InChI
InChI=1S/C10H12N2O2/c13-9-1-3-10(14,4-2-9)8-5-11-7-12-6-8/h5-7,14H,1-4H2
InChIKey
MOFXSVPGVNPBAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.4
TPSA
63.08

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
-0.7
Consensus LogP
0.27
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.32

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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