![CAS 1363382-87-9 6-(BOC-AMINOMETHYL)-3-AZABICYCLO[3.1.1]HEPTANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363382-87-9.gif)
CAS RN: 1363382-87-9
6-(BOC-AMINOMETHYL)-3-AZABICYCLO[3.1.1]HEPTANE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260403 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-045386
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: 0.05g, 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
1363382-87-9 / tert-butyl N-(3-azabicyclo[3.1.1]heptan-6-ylmethyl)carbamate
Basic Information
CAS
1363382-87-9
Multi CAS
No
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
SMILES
CC(C)(C)OC(=O)NCC1C2CC1CNC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-10-8-4-9(10)6-13-5-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKey
XMGLCYSYJLJFDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.19
TPSA
50.36
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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