CAS RN: 505082-76-8
2-Fluoro-4-phenylbenzoic 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.20250601 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS505082-76-8
- Purity/Analytical Methods: >99.0%
505082-76-8 / 2-fluoro-4-phenylbenzoic acid
Basic Information
CAS
505082-76-8
Multi CAS
No
Molecular Formula
C13FH9O2
Molecular Weight
216.210000
Exact Mass
216.058658
InChI
InChI=1S/C13H9FO2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKey
OCBXYYOULFLHEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.8
TPSA
37.3
LogP / Solubility
WLOGP
3.19
MLOGP
2.81
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.77
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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