CAS RN: 136684-94-1
N-cyclohexyl-4-fluoroaniline
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.20260318 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS136684-94-1
- Purity/Analytical Methods: >99.0%
136684-94-1 / N-cyclohexyl-4-fluoroaniline
Basic Information
CAS
136684-94-1
Multi CAS
No
Molecular Formula
C12H16FN
Molecular Weight
193.260000
Exact Mass
193.126678
SMILES
C1CCC(CC1)NC2=CC=C(C=C2)F
InChI
InChI=1S/C12H16FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
InChIKey
NIRWGOMUADRKSA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.9
TPSA
12.03
LogP / Solubility
WLOGP
3.57
MLOGP
3.14
XLogP3
3.8
Consensus LogP
3.5
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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