![CAS 1261958-14-8 5-Fluoro-2′-hydroxy-[1,1′-biphenyl]-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261958-14-8.gif)
CAS RN: 1261958-14-8
5-Fluoro-2′-hydroxy-[1,1′-biphenyl]-3-carboxylic 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.20250427 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1261958-14-8
- Purity/Analytical Methods: >99.0%
1261958-14-8 / 3-fluoro-5-(2-hydroxyphenyl)benzoic acid
Basic Information
CAS
1261958-14-8
Multi CAS
No
Molecular Formula
C13H9FO3
Molecular Weight
232.210000
Exact Mass
232.053572
SMILES
C1=CC=C(C(=C1)C2=CC(=CC(=C2)F)C(=O)O)O
InChI
InChI=1S/C13H9FO3/c14-10-6-8(5-9(7-10)13(16)17)11-3-1-2-4-12(11)15/h1-7,15H,(H,16,17)
InChIKey
KNAHNYJQQNDRAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.46
TPSA
57.53
LogP / Solubility
WLOGP
2.9
MLOGP
2.55
XLogP3
2.8
Consensus LogP
2.75
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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