![CAS 1272757-54-6 Cis-Tert-Butyl 1-Amino-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1272757-54-6.gif)
CAS RN: 1272757-54-6
Cis-Tert-Butyl 1-Amino-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate
- Product code: SSC-034816
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 | Shanghai | Inquiry |
1272757-54-6 / tert-butyl (1R)-1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
Basic Information
CAS
1272757-54-6
Multi CAS
No
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
SMILES
CC(C)(C)OC(=O)N1CC2C[C@@]2(C1)N
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-5-7-4-10(7,11)6-12/h7H,4-6,11H2,1-3H3/t7?,10-/m0/s1
InChIKey
RYGHDJBBUKJALE-MHPPCMCBSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.83
TPSA
55.56
LogP / Solubility
WLOGP
0.95
MLOGP
0.84
XLogP3
0.2
Consensus LogP
0.66
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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