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CAS 1228652-20-7 4-Hydroxy-4-(5-methoxy-2-pyridyl)cyclohexanone molecular structure lightbox
CAS RN: 1228652-20-7

4-Hydroxy-4-(5-methoxy-2-pyridyl)cyclohexanone

  • Product code: SSC-026497
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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: 1g, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1228652-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1228652-20-7 / 4-hydroxy-4-(5-methoxy-2-pyridinyl)cyclohexan-1-one

Standard CAS: 1228652-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228652-20-7
Multi CAS
No
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
SMILES
COC1=CN=C(C=C1)C2(CCC(=O)CC2)O
InChI
InChI=1S/C12H15NO3/c1-16-10-2-3-11(13-8-10)12(15)6-4-9(14)5-7-12/h2-3,8,15H,4-7H2,1H3
InChIKey
MYNIIYFLSAWTBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.16
TPSA
59.42

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
Consensus LogP
0.89
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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