![CAS 121040-08-2 4-[2-(trans-4-Pentylcyclohexyl)ethyl]cyclohexanone molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2370-jpgcontextbwfzdgvyfhjvb3r8mjq5odz8aw1hz2uvanblz3xomdgvadawlzg5mzixmziwnjeymtqvudiznzauanbnfdi5ywuwmzrkythhyzdinje3n2jjmji3mdazmmy2njjizjbhmgnlzmnhmgqymtiznji2ytrjn2y3ndu1mwnlzji.jpeg)
CAS RN: 121040-08-2
4-[2-(trans-4-Pentylcyclohexyl)ethyl]cyclohexanone
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251213 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTP2370
- Purity/Analytical Methods: >98.0%(GC)
121040-08-2 / 4-[2-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one
TRANS-4-[2-(4-PENTYLCYCLOHEXYL)ETHYL]CYCLOHEXANONE | 4-[2-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one | 4-[2-(trans-4-Pentylcyclohexyl)ethyl]cyclohexanone
Basic Information
CAS
121040-08-2
Multi CAS
No
Molecular Formula
C19H34O
Molecular Weight
278.500000
Exact Mass
278.260966
SMILES
CCCCCC1CCC(CC1)CCC2CCC(=O)CC2
InChI
InChI=1S/C19H34O/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h16-18H,2-15H2,1H3
InChIKey
ISFMATRVDNBZMP-UHFFFAOYSA-N
Synonyms
TRANS-4-[2-(4-PENTYLCYCLOHEXYL)ETHYL]CYCLOHEXANONE
4-[2-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one
4-[2-(trans-4-Pentylcyclohexyl)ethyl]cyclohexanone
MFCD14636435
4-{2-[(1S,4R)-4-PENTYLCYCLOHEXYL]ETHYL}CYCLOHEXAN-1-ONE
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.95
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
85.79
TPSA
17.07
LogP / Solubility
WLOGP
5.91
MLOGP
5.21
XLogP3
6.9
Consensus LogP
6.01
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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