CAS RN: 964-68-1
Benzophenone-4,4′-dicarboxylic Acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-211985
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: 25g
- Available purity: >95%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
964-68-1 / 4-(4-carboxybenzoyl)benzoic acid
Basic Information
CAS
964-68-1
Multi CAS
Yes
Molecular Formula
C15H10O5
Molecular Weight
270.240000
Exact Mass
270.052823
InChI
InChI=1S/C15H10O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKey
LFEWXDOYPCWFHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.24
TPSA
91.67
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
3.3
Consensus LogP
2.55
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
![CAS 711-02-4 Bicyclo[2.2.2]octane-1,4-dicarboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5595-jpgcontextbwfzdgvyfhjvb3r8mjkymzl8aw1hz2uvanblz3xoogevadg1lzg5mjkymdg2mzezmjyvqju1otuuanbnfdvkzwflzgu2mtkxzgzmntvhnzm2mzjjzjuxmjjjngvlyjfmotcymgu5otnhotg5nwy0ymzjztfhodewzdqznmi.jpeg)
