CAS RN: 85-52-9
2-Benzoylbenzoic Acid
Product Availability
Choose a grade to view its available package options.
14 package records14 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250429 | 100g | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20260220 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250326 | 10kg | In stock | Shandong | Inquiry |
| Batchno.20260616 | 1kg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250728 | 2.5kg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250720 | 25g | In stock | Shanghai, Shandong, Hebei | Inquiry |
| Batchno.20251126 | 500g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20251128 | 500g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: SSC-192829
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, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
85-52-9 / 2-benzoylbenzoic acid
Basic Information
CAS
85-52-9
Multi CAS
Yes
Molecular Formula
C14H10O3
Molecular Weight
226.230000
Exact Mass
226.062994
InChI
InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
InChIKey
FGTYTUFKXYPTML-UHFFFAOYSA-N
Physical Properties
Melting Point
127-129 °C
MP: 93.4 °C (+ WATER)
Physical Description
Solid; [HSDB] White or cream colored crystalline powder
Appearance
TRICLINIC NEEDLES (WATER + 1)
State
Solid
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
2.3
Consensus LogP
2.41
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
