CAS RN: 728919-11-7
4′-TRIFLUOROMETHOXY-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.20250116 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS728919-11-7
- Purity/Analytical Methods: >99.0%
728919-11-7 / 4-[4-(trifluoromethoxy)phenyl]benzoic acid
Basic Information
CAS
728919-11-7
Multi CAS
No
Molecular Formula
C14F3H9O3
Molecular Weight
282.210000
Exact Mass
282.050379
InChI
InChI=1S/C14H9F3O3/c15-14(16,17)20-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H,18,19)
InChIKey
YZWGBLHLQLDTMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.52
TPSA
46.53
LogP / Solubility
WLOGP
3.95
MLOGP
3.49
XLogP3
4.3
Consensus LogP
3.91
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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