![CAS 117923-32-7 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2372-jpgcontextbwfzdgvyfhjvb3r8mjq3odv8aw1hz2uvanblz3xoyzcvadazlzg5mzixmzixotiyodyvudiznziuanbnfdi4mjc2y2jkmtq0yjcwotqwmmixogzkythlmzlmnwu1zmzkzgzlywixowiwnjk4mwewmtqznti2mja3nwzmmta.jpeg)
CAS RN: 117923-32-7
4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
- Product code: ICTP2372
- Purity/Analytical Methods: >98.0%(GC)
117923-32-7 / 4-[2-(4-propylcyclohexyl)ethyl]cyclohexan-1-one
trans-4-[2-(4-Propylcyclohexyl)ethyl]cyclohexanone | 4-[2-(TRANS-4-PROPYLCYCLOHEXYL)ETHYL]CYCLOHEXANONE | 4-[2-(4-PROPYLCYCLOHEXYL)ETHYL]CYCLOHEXAN-1-ONE
Basic Information
CAS
117923-32-7
Multi CAS
Yes
Molecular Formula
C17H30O
Molecular Weight
250.400000
Exact Mass
250.229666
SMILES
CCCC1CCC(CC1)CCC2CCC(=O)CC2
InChI
InChI=1S/C17H30O/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18)13-11-16/h14-16H,2-13H2,1H3
InChIKey
OLRRTAGESHHXPY-UHFFFAOYSA-N
Synonyms
trans-4-[2-(4-Propylcyclohexyl)ethyl]cyclohexanone
4-[2-(TRANS-4-PROPYLCYCLOHEXYL)ETHYL]CYCLOHEXANONE
4-[2-(4-PROPYLCYCLOHEXYL)ETHYL]CYCLOHEXAN-1-ONE
MFCD12911604
4-{2-[(1S,4R)-4-PROPYLCYCLOHEXYL]ETHYL}CYCLOHEXAN-1-ONE
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.94
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
76.56
TPSA
17.07
LogP / Solubility
WLOGP
5.13
MLOGP
4.52
XLogP3
5.8
Consensus LogP
5.15
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.6
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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