CAS RN: 1262310-00-8
tert-butyl 1-(Methylsulfonyl)piperidin-3-ylcarbaMate
- Product code: SSC-033094
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1262310-00-8 / tert-butyl N-(1-methylsulfonylpiperidin-3-yl)carbamate
Basic Information
CAS
1262310-00-8
Multi CAS
No
Molecular Formula
C11H22N2O4S
Molecular Weight
278.370000
Exact Mass
278.130028
SMILES
CC(C)(C)OC(=O)NC1CCCN(C1)S(=O)(=O)C
InChI
InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)12-9-6-5-7-13(8-9)18(4,15)16/h9H,5-8H2,1-4H3,(H,12,14)
InChIKey
UXYFDFIFACOEAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.81
TPSA
75.71
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.8
Consensus LogP
0.86
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75
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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