CAS RN: 40693-96-7
ethyl 2-(propylamino)acetate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260423 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS40693-96-7
- Purity/Analytical Methods: >99.0%
40693-96-7 / ethyl 2-(propylamino)acetate
Basic Information
CAS
40693-96-7
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
InChI
InChI=1S/C7H15NO2/c1-3-5-8-6-7(9)10-4-2/h8H,3-6H2,1-2H3
InChIKey
JJUSZJBGNONFQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.79
TPSA
38.33
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
1
Consensus LogP
0.68
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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