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CAS 116920-04-8 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid molecular structure lightbox
CAS RN: 116920-04-8

5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-016746
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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 116920-04-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

116920-04-8 / 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid

Pentanoic acid, 5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxo- | DTXSID70433407 | Pentanoic acid, 5-((2,5-dioxo-1-pyrrolidinyl)oxy)-5-oxo-

Standard CAS: 116920-04-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
116920-04-8
Multi CAS
Yes
Molecular Formula
C9H11NO6
Molecular Weight
229.190000
Exact Mass
229.058637
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCC(=O)O
InChI
InChI=1S/C9H11NO6/c11-6-4-5-7(12)10(6)16-9(15)3-1-2-8(13)14/h1-5H2,(H,13,14)
InChIKey
NWAGXLBTAPTCPR-UHFFFAOYSA-N
Synonyms
Pentanoic acid, 5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxo- DTXSID70433407 Pentanoic acid, 5-((2,5-dioxo-1-pyrrolidinyl)oxy)-5-oxo- RefChem:1094526 DTXCID40384235

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.67
TPSA
100.98

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.13
XLogP3
-1
Consensus LogP
-0.43
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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