![CAS 1318975-41-5 2,3′,5′-Trifluoro-[1,1′-biphenyl]-4-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1318975-41-5.gif)
CAS RN: 1318975-41-5
2,3′,5′-Trifluoro-[1,1′-biphenyl]-4-carbaldehyde
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20250106 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250711 | 250mg | In stock | Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260131 | 5g | In stock | Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS1318975-41-5
- Purity/Analytical Methods: >99.0%
1318975-41-5 / 4-(3,5-difluorophenyl)-3-fluorobenzaldehyde
Basic Information
CAS
1318975-41-5
Multi CAS
No
Molecular Formula
C13H7F3O
Molecular Weight
236.190000
Exact Mass
236.044899
SMILES
C1=CC(=C(C=C1C=O)F)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C13H7F3O/c14-10-4-9(5-11(15)6-10)12-2-1-8(7-17)3-13(12)16/h1-7H
InChIKey
BNIFVZNUYYQLIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.14
TPSA
17.07
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.3
Consensus LogP
3.35
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.62
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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