CAS RN: 675596-31-3
2′-TRIFLUOROMETHYL-BIPHENYL-3-CARBALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260102 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS675596-31-3
- Purity/Analytical Methods: >99.0%
675596-31-3 / 3-[2-(trifluoromethyl)phenyl]benzaldehyde
Basic Information
CAS
675596-31-3
Multi CAS
No
Molecular Formula
C14F3H9O
Molecular Weight
250.210000
Exact Mass
250.060549
InChI
InChI=1S/C14H9F3O/c15-14(16,17)13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-18/h1-9H
InChIKey
FUQDVSPEJKKYQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62.27
TPSA
17.07
LogP / Solubility
WLOGP
4.18
MLOGP
3.69
XLogP3
4.1
Consensus LogP
3.99
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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