CAS RN: 17040-65-2
1-cyclohexenyl-phenyl-methanone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250914 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS17040-65-2
- Purity/Analytical Methods: >99.0%
17040-65-2 / cyclohexen-1-yl(phenyl)methanone
Basic Information
CAS
17040-65-2
Multi CAS
No
Molecular Formula
C13H14O
Molecular Weight
186.250000
Exact Mass
186.104465
SMILES
C1CCC(=CC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H14O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2
InChIKey
GFXUKSMUKHKIGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.32
TPSA
17.07
LogP / Solubility
WLOGP
3.37
MLOGP
2.96
XLogP3
3.5
Consensus LogP
3.28
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-1.46
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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