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CAS 4166-53-4 3-Methylglutaric Anhydride molecular structure lightbox
CAS RN: 4166-53-4

3-Methylglutaric Anhydride

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250912 10g In stock Shanghai Inquiry
Batchno.20250423 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251016 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251004 500g In stock Shanghai Inquiry
Batchno.20250215 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-150045
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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: 10g, 25g, 100g
  • 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 4166-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

4166-53-4 / 4-methyloxane-2,6-dione

Standard CAS: 4166-53-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4166-53-4
Multi CAS
Yes
Molecular Formula
C6H8O3
Molecular Weight
128.130000
Exact Mass
128.047344
InChI
InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3
InChIKey
MGICRVTUCPFQQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
H-bond acceptors
3
Molar refractivity
29.5
TPSA
43.37

LogP / Solubility

WLOGP
0.49
MLOGP
0.42
XLogP3
0.3
Consensus LogP
0.4
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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