CAS RN: 52807-12-2
4′-hydroxyflurbiprofen
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.20260614 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS52807-12-2
- Purity/Analytical Methods: >99.0%
52807-12-2 / 2-[3-fluoro-4-(4-hydroxyphenyl)phenyl]propanoic acid
Basic Information
CAS
52807-12-2
Multi CAS
Yes
Molecular Formula
C15FH13O3
Molecular Weight
260.260000
Exact Mass
260.084872
InChI
InChI=1S/C15H13FO3/c1-9(15(18)19)11-4-7-13(14(16)8-11)10-2-5-12(17)6-3-10/h2-9,17H,1H3,(H,18,19)
InChIKey
GTSMMBJBNJDFRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.55
TPSA
57.53
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.8
Consensus LogP
3.39
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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