CAS RN: 1093659-81-4
4-Fluoroaniline–d4
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.20251124 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1093659-81-4
- Purity/Analytical Methods: >99.0%
1093659-81-4 / 2,3,5,6-tetradeuterio-4-fluoroaniline
4-Fluoroaniline-2,3,5,6-d4 | 4-Fluoroaniline--d4 | 4-Fluoroaminobenzene-2,3,5,6-d4
Basic Information
CAS
1093659-81-4
Multi CAS
Yes
Molecular Formula
C6H6FN
Molecular Weight
115.140000
Exact Mass
115.073534
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])F)[2H]
InChI
InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2/i1D,2D,3D,4D
InChIKey
KRZCOLNOCZKSDF-RHQRLBAQSA-N
Synonyms
4-Fluoroaniline-2,3,5,6-d4
4-Fluoroaniline--d4
4-Fluoroaminobenzene-2,3,5,6-d4
2,3,5,6-tetradeuterio-4-fluoro-aniline
SCHEMBL8787859
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.81
TPSA
26.02
LogP / Solubility
WLOGP
1.41
MLOGP
1.23
XLogP3
1.1
Consensus LogP
1.25
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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