CAS RN: 1407997-81-2
(R)-4-(AMinoMethyl)pyrrolidin-2-one
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.20260410 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1407997-81-2
- Purity/Analytical Methods: >99.0%
1407997-81-2 / (4R)-4-(aminomethyl)pyrrolidin-2-one
Basic Information
CAS
1407997-81-2
Multi CAS
No
Molecular Formula
C5H10N2O
Molecular Weight
114.150000
Exact Mass
114.079313
SMILES
C1[C@@H](CNC1=O)CN
InChI
InChI=1S/C5H10N2O/c6-2-4-1-5(8)7-3-4/h4H,1-3,6H2,(H,7,8)/t4-/m1/s1
InChIKey
TXFBWVRKVAEOPA-SCSAIBSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.17
TPSA
55.12
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.82
XLogP3
-1.4
Consensus LogP
-1.05
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.24
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.07
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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