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CAS 4023-65-8 trans-Aconitic Acid molecular structure lightbox
CAS RN: 4023-65-8

trans-Aconitic Acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260427 100g In stock Chengdu Inquiry
Batchno.20250913 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251027 500g In stock Shanghai Inquiry
Batchno.20251117 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-148299
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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 4023-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

4023-65-8 / prop-1-ene-1,2,3-tricarboxylic acid

Standard CAS: 4023-65-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4023-65-8
Multi CAS
Yes
Molecular Formula
C6H6O6
Molecular Weight
174.110000
Exact Mass
174.016438
InChI
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
GTZCVFVGUGFEME-UHFFFAOYSA-N

Physical Properties

Melting Point
194-195 °C (WITH DECOMP)
Physical Description
White to yellowish solid; [Hawley] colourless or yellow crystals, leaves, or plates; pleasant winey acid taste; almost odourless
Appearance
LEAFLETS & PLATES FROM WATER WHITE CRYSTALLINE POWDER WHITE OR YELLOWISH CRYSTALLINE SOLID
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
35.61
TPSA
111.9

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.39
XLogP3
-1
Consensus LogP
-0.61
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1

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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