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CAS 37043-04-2 Hexahydro-pyrido[1,2-a]pyrazine-1,4-dione molecular structure lightbox
CAS RN: 37043-04-2

Hexahydro-pyrido[1,2-a]pyrazine-1,4-dione

  • Product code: SSC-144332
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 37043-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

37043-04-2 / 3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

Standard CAS: 37043-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37043-04-2
Multi CAS
No
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
InChI
InChI=1S/C8H12N2O2/c11-7-5-9-8(12)6-3-1-2-4-10(6)7/h6H,1-5H2,(H,9,12)
InChIKey
YXBLPNSWHUPKPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.36
TPSA
49.41

LogP / Solubility

WLOGP
-0.5
MLOGP
-0.45
XLogP3
-0.2
Consensus LogP
-0.38
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
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)
-4.1

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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