![CAS 1251668-97-9 methyl2-((1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251668-97-9.gif)
CAS RN: 1251668-97-9
methyl2-((1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl)acetate
- Product code: SSC-029864
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 | Hong Kong | Inquiry |
1251668-97-9 / ethyl 2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetate
Basic Information
CAS
1251668-97-9
Multi CAS
No
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
SMILES
CCOC(=O)CC1[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C9H15NO2/c1-2-12-9(11)3-6-7-4-10-5-8(6)7/h6-8,10H,2-5H2,1H3/t6?,7-,8+
InChIKey
GGOXACSGIVGNKF-IEESLHIDSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.59
TPSA
38.33
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
XLogP3
0.3
Consensus LogP
0.35
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.46
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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