![CAS 143613-17-6 “[1,1′,4′,1″”,4″”,1″”‘-Quaterphenyl]-4,4”’-dicarboxylic acid” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143613-17-6.gif)
CAS RN: 143613-17-6
“[1,1′,4′,1″”,4″”,1″”‘-Quaterphenyl]-4,4”’-dicarboxylic acid”
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251030 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250523 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batchno.20260211 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250831 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250226 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS143613-17-6
- Purity/Analytical Methods: >99.0%
143613-17-6 / 4-[4-[4-(4-carboxyphenyl)phenyl]phenyl]benzoic acid
Basic Information
CAS
143613-17-6
Multi CAS
No
Molecular Formula
C26H18O4
Molecular Weight
394.400000
Exact Mass
394.120509
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)
InChIKey
HKNHBZNRYLZPMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
116.67
TPSA
74.6
LogP / Solubility
WLOGP
6.08
MLOGP
5.38
XLogP3
5.9
Consensus LogP
5.79
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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