CAS RN: 1585225-95-1
benzyl 4-(sulfaMoylMethyl)piperidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-066856
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: ≥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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1585225-95-1 / benzyl 4-(sulfamoylmethyl)piperidine-1-carboxylate
Basic Information
CAS
1585225-95-1
Multi CAS
No
Molecular Formula
C14H20N2O4S
Molecular Weight
312.390000
Exact Mass
312.114378
SMILES
C1CN(CCC1CS(=O)(=O)N)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O4S/c15-21(18,19)11-13-6-8-16(9-7-13)14(17)20-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,18,19)
InChIKey
ZYXQVEYVZKAFLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.9
TPSA
89.7
LogP / Solubility
WLOGP
1.32
MLOGP
1.18
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 1585988-92-6 “(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-9-phenanthrenyl-5-oxide-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1585988-92-6.gif)
