![CAS 921619-89-8 [1,1′:4′,1″]Terphenyl- 3,3″,5,5″-tetracarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/921619-89-8.gif)
CAS RN: 921619-89-8
[1,1′:4′,1″]Terphenyl- 3,3″,5,5″-tetracarboxylic acid
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-205737
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
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
921619-89-8 / 5-[4-(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
Basic Information
CAS
921619-89-8
Multi CAS
No
Molecular Formula
C22H14O8
Molecular Weight
406.300000
Exact Mass
406.068867
InChI
InChI=1S/C22H14O8/c23-19(24)15-5-13(6-16(9-15)20(25)26)11-1-2-12(4-3-11)14-7-17(21(27)28)10-18(8-14)22(29)30/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKey
HQCSLVYEWMDWIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
105.15
TPSA
149.2
LogP / Solubility
WLOGP
3.81
MLOGP
3.38
XLogP3
3.3
Consensus LogP
3.5
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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