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CAS 2155-60-4 Dibutyl Itaconate (stabilized with HQ) molecular structure lightbox
CAS RN: 2155-60-4

Dibutyl Itaconate (stabilized with HQ)

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260513 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Hebei, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260119 100g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260212 1kg Out of stock Inquiry
Batchno.20260208 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250502 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-103268
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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: 25g
  • Available purity: ≥97%
  • 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 2155-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

2155-60-4 / dibutyl 2-methylidenebutanedioate

Standard CAS: 2155-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2155-60-4
Multi CAS
No
Molecular Formula
C13H22O4
Molecular Weight
242.310000
Exact Mass
242.151809
SMILES
CCCCOC(=O)CC(=C)C(=O)OCCCC
InChI
InChI=1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h3-10H2,1-2H3
InChIKey
OGVXYCDTRMDYOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.69
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
65.49
TPSA
52.6

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
3
Consensus LogP
2.64
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-2.34

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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