CAS RN: 543741-43-1
2-(2-(4-Fluorobenzyl)Phenyl)Acetic 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.20250408 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS543741-43-1
- Purity/Analytical Methods: >99.0%
543741-43-1 / 2-[2-[(4-fluorophenyl)methyl]phenyl]acetic acid
Basic Information
CAS
543741-43-1
Multi CAS
No
Molecular Formula
C15FH13O2
Molecular Weight
244.260000
Exact Mass
244.089958
InChI
InChI=1S/C15H13FO2/c16-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-15(17)18/h1-8H,9-10H2,(H,17,18)
InChIKey
SUIOLLGUOHLBPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.99
TPSA
37.3
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
3.4
Consensus LogP
3.04
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
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)
-2.05
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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