![CAS 1433189-27-5 [1,1′:3′,1”-terphenyl]-3,3”,5,5”-tetracarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1433189-27-5.gif)
CAS RN: 1433189-27-5
[1,1′:3′,1”-terphenyl]-3,3”,5,5”-tetracarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 100mg / 250mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1433189-27-5
- Purity/Analytical Methods: >99.0%
1433189-27-5 / 5-[3-(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
Basic Information
CAS
1433189-27-5
Multi CAS
No
Molecular Formula
C22H14O8
Molecular Weight
406.300000
Exact Mass
406.068867
SMILES
C1=CC(=CC(=C1)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C3=CC(=CC(=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C22H14O8/c23-19(24)15-5-13(6-16(9-15)20(25)26)11-2-1-3-12(4-11)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
TZOSCSXHFPKRBH-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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