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CAS 1000577-63-8 hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one molecular structure lightbox
CAS RN: 1000577-63-8

hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250621 100mg Out of stock Inquiry
Batchno.20260502 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260403 1g In stock Shanghai Inquiry
Batchno.20251005 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1000577-63-8
  • Purity/Analytical Methods: >99.0%
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1000577-63-8 / 2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one

1000577-63-8 | octahydropyrrolo[1,2-a]piperazin-4-one | Octahydropyrrolo(1,2-a)piperazin-4-one

Standard CAS: 1000577-63-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000577-63-8
Multi CAS
No
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
SMILES
C1CC2CNCC(=O)N2C1
InChI
InChI=1S/C7H12N2O/c10-7-5-8-4-6-2-1-3-9(6)7/h6,8H,1-5H2
InChIKey
HAAZJWVQKLGNDT-UHFFFAOYSA-N
Synonyms
1000577-63-8 octahydropyrrolo[1,2-a]piperazin-4-one Octahydropyrrolo(1,2-a)piperazin-4-one RefChem:855901 837-079-3

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.6
TPSA
32.34

LogP / Solubility

WLOGP
-0.42
MLOGP
-0.38
XLogP3
-0.3
Consensus LogP
-0.37
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very 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)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

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