CAS RN: 934-42-9
2-Butylcyclopentanone
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.20250317 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: LINB895843
934-42-9 / 2-butylcyclopentan-1-one
Basic Information
CAS
934-42-9
Multi CAS
Yes
Molecular Formula
C9H16O
Molecular Weight
140.220000
Exact Mass
140.120115
InChI
InChI=1S/C9H16O/c1-2-3-5-8-6-4-7-9(8)10/h8H,2-7H2,1H3
InChIKey
ZAQYRXDJFINJJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
41.87
TPSA
17.07
LogP / Solubility
WLOGP
2.55
MLOGP
2.23
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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