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CAS 42599-26-8 1-Methyl-2,3-Pyrrolidinedione molecular structure lightbox
CAS RN: 42599-26-8

1-Methyl-2,3-Pyrrolidinedione

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260514 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250419 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250203 5g In stock Shanghai Inquiry
  • Product code: SSC-150917
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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: ＞97%
  • 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 42599-26-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

42599-26-8 / 1-methylpyrrolidine-2,3-dione

Standard CAS: 42599-26-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42599-26-8
Multi CAS
No
Molecular Formula
C5H7NO2
Molecular Weight
113.110000
Exact Mass
113.047678
InChI
InChI=1S/C5H7NO2/c1-6-3-2-4(7)5(6)8/h2-3H2,1H3
InChIKey
DHFODCCTNFXCCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
H-bond acceptors
2
Molar refractivity
27.26
TPSA
37.38

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.52
XLogP3
-0.7
Consensus LogP
-0.6
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly 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)
-3.82

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
1.5

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