![CAS 2305899-75-4 2′-fluoro-[1,1′:3′,1”-terphenyl]-4,4”,5′-tricarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2305899-75-4.gif)
CAS RN: 2305899-75-4
2′-fluoro-[1,1′:3′,1”-terphenyl]-4,4”,5′-tricarboxylic acid
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.20260213 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2305899-75-4
- Purity/Analytical Methods: >99.0%
2305899-75-4 / 3,5-bis(4-carboxyphenyl)-4-fluorobenzoic acid
Basic Information
CAS
2305899-75-4
Multi CAS
No
Molecular Formula
C21H13FO6
Molecular Weight
380.300000
Exact Mass
380.069616
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2F)C3=CC=C(C=C3)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C21H13FO6/c22-18-16(11-1-5-13(6-2-11)19(23)24)9-15(21(27)28)10-17(18)12-3-7-14(8-4-12)20(25)26/h1-10H,(H,23,24)(H,25,26)(H,27,28)
InChIKey
SBZARTCMULMVAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
98.15
TPSA
111.9
LogP / Solubility
WLOGP
4.25
MLOGP
3.77
XLogP3
3.9
Consensus LogP
3.97
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
Class (SILICOS-IT)
Insoluble
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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