CAS RN: 35295-36-4
4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde
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.20250918 | 200mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTT2481
- Purity/Analytical Methods: >97.0%(GC)
35295-36-4 / 4-(1,1,2,2-tetrafluoroethoxy)benzaldehyde
Basic Information
CAS
35295-36-4
Multi CAS
Yes
Molecular Formula
C9F4H6O2
Molecular Weight
222.140000
Exact Mass
222.030392
InChI
InChI=1S/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-6(5-14)2-4-7/h1-5,8H
InChIKey
ZTBIQWAGWYPSHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
43.41
TPSA
26.3
LogP / Solubility
WLOGP
2.74
MLOGP
2.41
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
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
