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CAS 5146-68-9 N-hydroxymethylsuccinimide molecular structure lightbox
CAS RN: 5146-68-9

N-hydroxymethylsuccinimide

  • Product code: SSC-158298
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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: 5g
  • 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 5146-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

5146-68-9 / 1-(hydroxymethyl)pyrrolidine-2,5-dione

Standard CAS: 5146-68-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5146-68-9
Multi CAS
Yes
Molecular Formula
C5H7NO3
Molecular Weight
129.110000
Exact Mass
129.042593
InChI
InChI=1S/C5H7NO3/c7-3-6-4(8)1-2-5(6)9/h7H,1-3H2
InChIKey
AZVYYSCOCHRFKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.17
TPSA
57.61

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.81
XLogP3
-0.9
Consensus LogP
-0.87
Class (ESOL)
Highly soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
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)
-4.16

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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