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: 0.1g, 0.25g, 1g, 5g, 25g, 10g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 1 In Stock | Beijing | Inquiry |
| 25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
569348-14-7 / benzyl 3-carbamoylpiperidine-1-carboxylate
Basic Information
CAS
569348-14-7
Multi CAS
No
Molecular Formula
C14H18N2O3
Molecular Weight
262.300000
Exact Mass
262.131742
InChI
InChI=1S/C14H18N2O3/c15-13(17)12-7-4-8-16(9-12)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,17)
InChIKey
JVNTYSRHYYSZEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.12
TPSA
72.63
LogP / Solubility
WLOGP
1.52
MLOGP
1.35
XLogP3
1
Consensus LogP
1.29
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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