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CAS 146004-84-4 Octadecanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester molecular structure lightbox
CAS RN: 146004-84-4

Octadecanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251206 100mg In stock Shanghai Inquiry
Batchno.20250814 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250503 1g In stock Shanghai Inquiry
Batchno.20260630 250mg In stock Shanghai Inquiry
Batchno.20250224 5g In stock Shanghai Inquiry
  • Product code: SSC-057161
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 146004-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry

146004-84-4 / 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid

Standard CAS: 146004-84-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146004-84-4
Multi CAS
No
Molecular Formula
C22H37NO6
Molecular Weight
411.500000
Exact Mass
411.262088
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C22H37NO6/c24-19-17-18-20(25)23(19)29-22(28)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-21(26)27/h1-18H2,(H,26,27)
InChIKey
INOQSIYQNSSVBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.82
Rotatable bonds
18
H-bond acceptors
5
H-bond donors
1
Molar refractivity
108.69
TPSA
100.98

LogP / Solubility

WLOGP
4.92
MLOGP
4.35
XLogP3
5.9
Consensus LogP
5.06
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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