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CAS 86428-61-7 1-(tetrahydro-2H-pyran-4-yl)propan-2-one molecular structure lightbox
CAS RN: 86428-61-7

1-(tetrahydro-2H-pyran-4-yl)propan-2-one

  • Product code: SSC-195467
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 86428-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry

86428-61-7 / 1-(oxan-4-yl)propan-2-one

Standard CAS: 86428-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86428-61-7
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
InChI
InChI=1S/C8H14O2/c1-7(9)6-8-2-4-10-5-3-8/h8H,2-6H2,1H3
InChIKey
WVXIQCFMHLFAIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.84
TPSA
26.3

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
0.5
Consensus LogP
1.04
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.6

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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