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CAS 67513-65-9 2,5-Pyrrolidinedione, 3-amino-1-methyl- molecular structure lightbox
CAS RN: 67513-65-9

2,5-Pyrrolidinedione, 3-amino-1-methyl-

  • Product code: SSC-177204
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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 67513-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

67513-65-9 / 3-amino-1-methylpyrrolidine-2,5-dione

Standard CAS: 67513-65-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67513-65-9
Multi CAS
Yes
Molecular Formula
C5H8N2O2
Molecular Weight
128.130000
Exact Mass
128.058578
InChI
InChI=1S/C5H8N2O2/c1-7-4(8)2-3(6)5(7)9/h3H,2,6H2,1H3
InChIKey
MAAOXKYXACWXIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.37
TPSA
63.4

LogP / Solubility

WLOGP
-1.3
MLOGP
-1.15
XLogP3
-1.7
Consensus LogP
-1.38
Log S (ESOL)
0.18
Class (ESOL)
Highly soluble
Log S (Ali)
0.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.58
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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