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CAS 611-95-0 4-Benzoylbenzoic Acid molecular structure lightbox
CAS RN: 611-95-0

4-Benzoylbenzoic Acid

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100g In stock Shanghai, Tianjin Inquiry
Batchno.20251119 10g In stock Shanghai Inquiry
Batchno.20251008 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250108 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250817 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250429 500g In stock Shanghai Inquiry
Batchno.20251215 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-169894
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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: ≥98%
  • 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 611-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

611-95-0 / 4-benzoylbenzoic acid

Standard CAS: 611-95-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
611-95-0
Multi CAS
Yes
Molecular Formula
C14H10O3
Molecular Weight
226.230000
Exact Mass
226.062994
InChI
InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)
InChIKey
IFQUPKAISSPFTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.28
TPSA
54.37

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
3
Consensus LogP
2.64
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

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

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