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CAS 25309-39-1 trimethyl pyridine-2,4,6-tricarboxylate molecular structure lightbox
CAS RN: 25309-39-1

trimethyl pyridine-2,4,6-tricarboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250419 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-121172
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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 25309-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

25309-39-1 / trimethyl pyridine-2,4,6-tricarboxylate

Standard CAS: 25309-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25309-39-1
Multi CAS
No
Molecular Formula
C11H11NO6
Molecular Weight
253.210000
Exact Mass
253.058637
SMILES
COC(=O)C1=CC(=NC(=C1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C11H11NO6/c1-16-9(13)6-4-7(10(14)17-2)12-8(5-6)11(15)18-3/h4-5H,1-3H3
InChIKey
RJRVGJDUSQEIGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
58.26
TPSA
91.79

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
XLogP3
1.1
Consensus LogP
0.64
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.95

Drug-likeness / Medicinal Chemistry

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

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