CAS RN: 270260-65-6
4-(cyclohexyloxy)benzonitrile
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.20260401 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS270260-65-6
- Purity/Analytical Methods: >99.0%
270260-65-6 / 4-cyclohexyloxybenzonitrile
Basic Information
CAS
270260-65-6
Multi CAS
No
Molecular Formula
C13H15NO
Molecular Weight
201.260000
Exact Mass
201.115364
SMILES
C1CCC(CC1)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C13H15NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChIKey
XTMHFCUGHJGBMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.66
TPSA
33.02
LogP / Solubility
WLOGP
3.27
MLOGP
2.88
XLogP3
3.4
Consensus LogP
3.18
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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