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CAS 2454-35-5 3′-Acetoxyacetophenone molecular structure lightbox
CAS RN: 2454-35-5

3′-Acetoxyacetophenone

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 1g In stock Inquiry
Batchno.20250410 25g In stock Inquiry
Batchno.20260114 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-119229
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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, 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 6
  • 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 2454-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 5 In Stock Shanghai Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 4 In Stock Beijing Inquiry

2454-35-5 / (3-acetylphenyl) acetate

Standard CAS: 2454-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2454-35-5
Multi CAS
No
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
SMILES
CC(=O)C1=CC(=CC=C1)OC(=O)C
InChI
InChI=1S/C10H10O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-6H,1-2H3
InChIKey
OTHYPAMNTUGKDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.76
TPSA
43.37

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.2
Consensus LogP
1.53
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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