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CAS 31795-12-7 Triglochinic acid molecular structure lightbox
CAS RN: 31795-12-7

Triglochinic acid

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250826 10mg Out of stock Inquiry
Batchno.20250309 1mg Out of stock Inquiry
Batchno.20260323 5mg Out of stock Inquiry
  • Product code: SSC-137243
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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: 0.05g, 0.1g, 0.25g, 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 31795-12-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 0 Out of Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

31795-12-7 / (E)-but-2-ene-1,2,4-tricarboxylic acid

Standard CAS: 31795-12-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31795-12-7
Multi CAS
Yes
Molecular Formula
C7H8O6
Molecular Weight
188.130000
Exact Mass
188.032088
InChI
InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1H,2-3H2,(H,8,9)(H,10,11)(H,12,13)/b4-1+
InChIKey
PQFOLJLIMNNJQY-DAFODLJHSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
40.22
TPSA
111.9

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.8
Consensus LogP
-0.3
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.91

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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