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CAS 31127-54-5 2,3,4,4′-Tetrahydroxybenzophenone molecular structure lightbox
CAS RN: 31127-54-5

2,3,4,4′-Tetrahydroxybenzophenone

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250930 10g In stock Shanghai Inquiry
Batchno.20250227 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250604 500g Out of stock Inquiry
Batchno.20250613 5g In stock Shanghai Inquiry
  • Product code: SSC-136383
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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: 100g
  • Available purity: ≥97%
  • 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 31127-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

31127-54-5 / (4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone

Standard CAS: 31127-54-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31127-54-5
Multi CAS
No
Molecular Formula
C13H10O5
Molecular Weight
246.210000
Exact Mass
246.052823
InChI
InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H
InChIKey
ZRDYULMDEGRWRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
62.98
TPSA
97.99

LogP / Solubility

WLOGP
1.74
MLOGP
1.54
XLogP3
2.4
Consensus LogP
1.89
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

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
No
Synthetic Accessibility
1.5

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