CAS RN: 32566-60-2
3-chloroazocan-2-one
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.20250506 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC926622
32566-60-2 / 3-chloroazocan-2-one
Basic Information
CAS
32566-60-2
Multi CAS
No
Molecular Formula
C7H12CLNO
Molecular Weight
161.630000
Exact Mass
161.060742
InChI
InChI=1S/C7H12ClNO/c8-6-4-2-1-3-5-9-7(6)10/h6H,1-5H2,(H,9,10)
InChIKey
RVTQUNOCGRKGTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.12
TPSA
29.1
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-2.79
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
2
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