CAS RN: 62247-22-7
ethyl 3-aMino-3-(pyridin-3-yl)propanoate
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.20260123 | 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS62247-22-7
- Purity/Analytical Methods: >99.0%
62247-22-7 / ethyl 3-amino-3-pyridin-3-ylpropanoate
Basic Information
CAS
62247-22-7
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
InChI
InChI=1S/C10H14N2O2/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8/h3-5,7,9H,2,6,11H2,1H3
InChIKey
SUOOQSWLTJJSDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.42
TPSA
65.21
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
-0.1
Consensus LogP
0.61
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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