![CAS 1250423-37-0 ethyl 2-(2-azabicyclo[2.2.1]heptan-2-yl)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250423-37-0.gif)
CAS RN: 1250423-37-0
ethyl 2-(2-azabicyclo[2.2.1]heptan-2-yl)acetate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250703 | 2g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250423-37-0
- Purity/Analytical Methods: >99.0%
1250423-37-0 / ethyl 2-(2-azabicyclo[2.2.1]heptan-2-yl)acetate
Basic Information
CAS
1250423-37-0
Multi CAS
No
Molecular Formula
C10H17NO2
Molecular Weight
183.250000
Exact Mass
183.125929
SMILES
CCOC(=O)CN1CC2CCC1C2
InChI
InChI=1S/C10H17NO2/c1-2-13-10(12)7-11-6-8-3-4-9(11)5-8/h8-9H,2-7H2,1H3
InChIKey
YZKHJLZDYSGWIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
49.34
TPSA
29.54
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.5
Consensus LogP
1.15
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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