CAS RN: 1790807-64-5
BENZYL 1-ACETYLPIPERIDIN-4-YLCARBAMATE
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-079792
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1790807-64-5 / benzyl N-(1-acetylpiperidin-4-yl)carbamate
Basic Information
CAS
1790807-64-5
Multi CAS
No
Molecular Formula
C15H20N2O3
Molecular Weight
276.330000
Exact Mass
276.147393
SMILES
CC(=O)N1CCC(CC1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H20N2O3/c1-12(18)17-9-7-14(8-10-17)16-15(19)20-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,16,19)
InChIKey
MCMSZAISEVXLJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.04
TPSA
58.64
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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