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CAS 58472-26-7 2-Hydroxy-7-methyl-1,4-naphthoquinone molecular structure lightbox
CAS RN: 58472-26-7

2-Hydroxy-7-methyl-1,4-naphthoquinone

  • Product code: SSC-166706
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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: 0.1g, 0.25g, 1g, 5g
  • 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 58472-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry

58472-26-7 / 4-hydroxy-7-methylnaphthalene-1,2-dione

Standard CAS: 58472-26-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58472-26-7
Multi CAS
Yes
Molecular Formula
C11H8O3
Molecular Weight
188.180000
Exact Mass
188.047344
InChI
InChI=1S/C11H8O3/c1-6-2-3-7-8(4-6)11(14)10(13)5-9(7)12/h2-5,12H,1H3
InChIKey
MLIQHPFZCIMTHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.09
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.12
TPSA
54.37

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.2
Consensus LogP
1.44
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.69

Drug-likeness / Medicinal Chemistry

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

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