![CAS 1250993-33-9 Cis-Tert-Butyl 1-Amino-3-Azabicyclo[4.1.0]Heptane-3-Carboxylate(WX110145) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250993-33-9.gif)
CAS RN: 1250993-33-9
Cis-Tert-Butyl 1-Amino-3-Azabicyclo[4.1.0]Heptane-3-Carboxylate(WX110145)
- Product code: SSC-029621
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 | Shanghai | Inquiry |
1250993-33-9 / tert-butyl 1-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate
Basic Information
CAS
1250993-33-9
Multi CAS
No
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)N1CCC2CC2(C1)N
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-8-6-11(8,12)7-13/h8H,4-7,12H2,1-3H3
InChIKey
WVHBMTCLKVJTOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.45
TPSA
55.56
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
0.6
Consensus LogP
1.04
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.06
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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