![CAS 1656308-56-3 [1,1′:4′,1”-Terphenyl]-4,4”-dicarboxylic acid,2′,5′-dihydroxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1656308-56-3.gif)
CAS RN: 1656308-56-3
[1,1′:4′,1”-Terphenyl]-4,4”-dicarboxylic acid,2′,5′-dihydroxy-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250323 | 100mg / 250mg / 1g | Confirm by inquiry | Shandong, Chongqing | Inquiry |
- Product code: starshine_CAS1656308-56-3
- Purity/Analytical Methods: >99.0%
1656308-56-3 / 4-[4-(4-carboxyphenyl)-2,5-dihydroxyphenyl]benzoic acid
Basic Information
CAS
1656308-56-3
Multi CAS
No
Molecular Formula
C20H14O6
Molecular Weight
350.300000
Exact Mass
350.079038
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2O)C3=CC=C(C=C3)C(=O)O)O)C(=O)O
InChI
InChI=1S/C20H14O6/c21-17-10-16(12-3-7-14(8-4-12)20(25)26)18(22)9-15(17)11-1-5-13(6-2-11)19(23)24/h1-10,21-22H,(H,23,24)(H,25,26)
InChIKey
GFNWNPNNRFSOOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
94.56
TPSA
115.06
LogP / Solubility
WLOGP
3.83
MLOGP
3.39
XLogP3
3.5
Consensus LogP
3.57
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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