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CAS 146004-82-2 Tetradecanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester molecular structure lightbox
CAS RN: 146004-82-2

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

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250402 100mg In stock Shanghai Inquiry
Batchno.20250818 1g In stock Shanghai Inquiry
Batchno.20250221 250mg In stock Shanghai Inquiry
  • Product code: SSC-057159
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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 146004-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

146004-82-2 / 14-(2,5-dioxopyrrolidin-1-yl)oxy-14-oxotetradecanoic acid

Standard CAS: 146004-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146004-82-2
Multi CAS
No
Molecular Formula
C18H29NO6
Molecular Weight
355.400000
Exact Mass
355.199488
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H29NO6/c20-15-13-14-16(21)19(15)25-18(24)12-10-8-6-4-2-1-3-5-7-9-11-17(22)23/h1-14H2,(H,22,23)
InChIKey
GQPOUNHESBKBLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.78
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
1
Molar refractivity
90.22
TPSA
100.98

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.7
Consensus LogP
3.34
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
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)
-2.5

Drug-likeness / Medicinal Chemistry

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

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