CAS RN: 1246277-40-6
R-3-acetaMidopyrrolidin hydrochloride
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.20250512 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246277-40-6
- Purity/Analytical Methods: >99.0%
1246277-40-6 / N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride
Basic Information
CAS
1246277-40-6
Multi CAS
No
Molecular Formula
C6H13ClN2O
Molecular Weight
164.630000
Exact Mass
164.071641
SMILES
CC(=O)N[C@@H]1CCNC1.Cl
InChI
InChI=1S/C6H12N2O.ClH/c1-5(9)8-6-2-3-7-4-6;/h6-7H,2-4H2,1H3,(H,8,9);1H/t6-;/m1./s1
InChIKey
NVIYDYVCYFKVCW-FYZOBXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.34
TPSA
41.13
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.09
XLogP3
-0.09
Consensus LogP
-0.09
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-3.79
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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