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CAS 96756-28-4 2’,4’,6’-Trihydroxy-3’-propylacetophenone molecular structure lightbox
CAS RN: 96756-28-4

2’,4’,6’-Trihydroxy-3’-propylacetophenone

  • Product code: SSC-212096
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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: 0.25g, 0.1g, 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 96756-28-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

96756-28-4 / 1-(2,4,6-trihydroxy-3-propylphenyl)ethanone

Standard CAS: 96756-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96756-28-4
Multi CAS
No
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
InChI
InChI=1S/C11H14O4/c1-3-4-7-8(13)5-9(14)10(6(2)12)11(7)15/h5,13-15H,3-4H2,1-2H3
InChIKey
GAMMIJNCCUGNGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
55.44
TPSA
77.76

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
2.4
Consensus LogP
2.03
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.61

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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