CAS RN: 505082-81-5
3′,4′-DIFLUORO-BIPHENYL-4-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.20250804 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS505082-81-5
- Purity/Analytical Methods: >99.0%
505082-81-5 / 4-(3,4-difluorophenyl)benzoic acid
Basic Information
CAS
505082-81-5
Multi CAS
No
Molecular Formula
C13F2H8O2
Molecular Weight
234.200000
Exact Mass
234.049236
InChI
InChI=1S/C13H8F2O2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
InChIKey
VDZUPTTUUMOUPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.75
TPSA
37.3
LogP / Solubility
WLOGP
3.33
MLOGP
2.93
XLogP3
3.3
Consensus LogP
3.19
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-1.78
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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