![CAS 1951439-77-2 6-(BOC-AMINO)-3-AZABICYCLO[3.1.0]HEXANE HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1951439-77-2.gif)
CAS RN: 1951439-77-2
6-(BOC-AMINO)-3-AZABICYCLO[3.1.0]HEXANE HCL
- Product code: SSC-092038
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 | Shenzhen | Inquiry |
1951439-77-2 / tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;hydrochloride
Basic Information
CAS
1951439-77-2
Multi CAS
No
Molecular Formula
C10H19ClN2O2
Molecular Weight
234.720000
Exact Mass
234.113506
SMILES
CC(C)(C)OC(=O)NC1C2C1CNC2.Cl
InChI
InChI=1S/C10H18N2O2.ClH/c1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8;/h6-8,11H,4-5H2,1-3H3,(H,12,13);1H
InChIKey
IFRQZAIOWPIKAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.26
TPSA
50.36
LogP / Solubility
WLOGP
1.15
MLOGP
1.02
XLogP3
1.15
Consensus LogP
1.11
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1951440-87-1 3-azabicyclo[3.3.1]nonan-7-ol hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1951440-87-1.gif)
