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CAS 249278-28-2 2′,4′,6′-TRIHYDROXYACETOPHENONE MONOHYDRATE molecular structure lightbox
CAS RN: 249278-28-2

2′,4′,6′-TRIHYDROXYACETOPHENONE MONOHYDRATE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250615 100g Out of stock 8-10 business days Inquiry
Batchno.20251126 1g In stock Shanghai Inquiry
Batchno.20250914 25g In stock Shanghai, Guangdong Inquiry
Batchno.20260427 5g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-120224
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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: 5g, 25g, 10g, 100g, 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 249278-28-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 4 In Stock Hong Kong Inquiry
10g ≥98% 3 In Stock Hong Kong Inquiry
100g ≥98% 3 In Stock Shanghai Inquiry
1g ≥98% 2 In Stock Shanghai Inquiry

249278-28-2 / 1-(2,4,6-trihydroxyphenyl)ethanone;hydrate

Standard CAS: 249278-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
249278-28-2
Multi CAS
No
Molecular Formula
C8H10O5
Molecular Weight
186.160000
Exact Mass
186.052823
SMILES
CC(=O)C1=C(C=C(C=C1O)O)O.O
InChI
InChI=1S/C8H8O4.H2O/c1-4(9)8-6(11)2-5(10)3-7(8)12;/h2-3,10-12H,1H3;1H2
InChIKey
GDSIBPPJKSBCMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
45.05
TPSA
109.26

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.18
Consensus LogP
0.17
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73

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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