![CAS 1303974-99-3 (R)-Hexahydro-pyrrolo[1,2-a]pyrazin-4-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1303974-99-3.gif)
CAS RN: 1303974-99-3
(R)-Hexahydro-pyrrolo[1,2-a]pyrazin-4-one hydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS1303974-99-3
- Purity/Analytical Methods: >99.0%
1303974-99-3 / (8aR)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hydrochloride
Basic Information
CAS
1303974-99-3
Multi CAS
No
Molecular Formula
C7H13ClN2O
Molecular Weight
176.640000
Exact Mass
176.071641
SMILES
C1C[C@@H]2CNCC(=O)N2C1.Cl
InChI
InChI=1S/C7H12N2O.ClH/c10-7-5-8-4-6-2-1-3-9(6)7;/h6,8H,1-5H2;1H/t6-;/m1./s1
InChIKey
HNXDSXZRXCCQED-FYZOBXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.85
TPSA
32.34
LogP / Solubility
Consensus LogP
0.0000
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.81
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)
-3.8
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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