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CAS 92379-42-5 2,2’3,4,4′-PENTAHYDROXY BENZOPHENONE molecular structure lightbox
CAS RN: 92379-42-5

2,2’3,4,4′-PENTAHYDROXY BENZOPHENONE

  • Product code: SSC-206029
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 92379-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

92379-42-5 / (2,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone

Standard CAS: 92379-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92379-42-5
Multi CAS
No
Molecular Formula
C13H10O6
Molecular Weight
262.210000
Exact Mass
262.047738
InChI
InChI=1S/C13H10O6/c14-6-1-2-7(10(16)5-6)11(17)8-3-4-9(15)13(19)12(8)18/h1-5,14-16,18-19H
InChIKey
GBQZZLQKUYLGFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
5
Molar refractivity
64.64
TPSA
118.22

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
2
Consensus LogP
1.58
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-3.29

Drug-likeness / Medicinal Chemistry

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

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