CAS RN: 98789-95-8
4-Decylcyclohexanone
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.20260311 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS98789-95-8
- Purity/Analytical Methods: >99.0%
98789-95-8 / 4-decylcyclohexan-1-one
Basic Information
CAS
98789-95-8
Multi CAS
No
Molecular Formula
C16H30O
Molecular Weight
238.410000
Exact Mass
238.229666
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h15H,2-14H2,1H3
InChIKey
QJIQWIMFIXEXSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.94
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
74.19
TPSA
17.07
LogP / Solubility
WLOGP
5.28
MLOGP
4.65
XLogP3
6.1
Consensus LogP
5.34
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.67
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)
-0.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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