![CAS 157327-41-8 1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/157327-41-8.gif)
CAS RN: 157327-41-8
1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260529 | 250mg / 1g / 5g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-066354
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, 25g, 5g, 100g
- 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 | Hong Kong | Inquiry |
| 10g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 3 In Stock | Beijing | Inquiry |
| 5g | >95% | 2 In Stock | Beijing | Inquiry |
| 100g | >95% | 2 In Stock | Hong Kong | Inquiry |
157327-41-8 / tert-butyl (3Z)-3-(dimethylaminomethylidene)-4-oxopiperidine-1-carboxylate
Basic Information
CAS
157327-41-8
Multi CAS
No
Molecular Formula
C13H22N2O3
Molecular Weight
254.330000
Exact Mass
254.163043
SMILES
CC(C)(C)OC(=O)N1CCC(=O)/C(=C\N(C)C)/C1
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-11(16)10(9-15)8-14(4)5/h8H,6-7,9H2,1-5H3/b10-8+
InChIKey
YUSMZDVTEOAHDL-CSKARUKUSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.69
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
69.2
TPSA
49.85
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
0.8
Consensus LogP
1.3
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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