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CAS 843666-34-2 Octadecanedioic acid, 1-(1,1-dimethylethyl) 18-(2,5-dioxo-1-pyrrolidinyl) ester molecular structure lightbox
CAS RN: 843666-34-2

Octadecanedioic acid, 1-(1,1-dimethylethyl) 18-(2,5-dioxo-1-pyrrolidinyl) ester

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250302 1g In stock Shanghai Inquiry
Batchno.20250725 250mg In stock Shanghai Inquiry
Batchno.20260601 250mg / 1g / 5g Confirm by inquiry Shanghai 15 business days Inquiry
Batchno.20251104 5g Out of stock Inquiry
  • Product code: SSC-191891
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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: 0.25g, 1g, 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 843666-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

843666-34-2 / 1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate

Standard CAS: 843666-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
843666-34-2
Multi CAS
No
Molecular Formula
C26H45NO6
Molecular Weight
467.600000
Exact Mass
467.324688
InChI
InChI=1S/C26H45NO6/c1-26(2,3)32-24(30)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-25(31)33-27-22(28)20-21-23(27)29/h4-21H2,1-3H3
InChIKey
JTOVMMPSILRQQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.85
Rotatable bonds
18
H-bond acceptors
6
Molar refractivity
126.9
TPSA
89.98

LogP / Solubility

WLOGP
6.18
MLOGP
5.47
XLogP3
7.2
Consensus LogP
6.28
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.19

Drug-likeness / Medicinal Chemistry

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

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