CAS RN: 81266-47-9
3-(nitromethyl)cyclopentanone
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.20250504 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-189789
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 10g, 5g, 0.1g, 0.25g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
81266-47-9 / 3-(nitromethyl)cyclopentan-1-one
Basic Information
CAS
81266-47-9
Multi CAS
Yes
Molecular Formula
C6H9NO3
Molecular Weight
143.140000
Exact Mass
143.058243
InChI
InChI=1S/C6H9NO3/c8-6-2-1-5(3-6)4-7(9)10/h5H,1-4H2
InChIKey
OXUCMXDWKATUHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
34.21
TPSA
60.21
LogP / Solubility
WLOGP
0.63
MLOGP
0.55
XLogP3
0.1
Consensus LogP
0.43
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.14
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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