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CAS 57654-36-1 3,6-Di(4-pyridyl)-1,2,4,5-tetrazine molecular structure lightbox
CAS RN: 57654-36-1

3,6-Di(4-pyridyl)-1,2,4,5-tetrazine

Product Availability

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8 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 1g In stock Inquiry
Batchno.20251210 200mg Out of stock Inquiry
Batchno.20250120 250mg In stock Inquiry
Batchno.20260629 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250205 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250207 25g In stock Shenzhen Inquiry
Batchno.20260303 5g Out of stock Inquiry
  • Product code: SSC-165824
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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: ≥98%
  • 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 57654-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

57654-36-1 / 3,6-dipyridin-4-yl-1,2,4,5-tetrazine

Standard CAS: 57654-36-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57654-36-1
Multi CAS
Yes
Molecular Formula
C12H8N6
Molecular Weight
236.230000
Exact Mass
236.081044
InChI
InChI=1S/C12H8N6/c1-5-13-6-2-9(1)11-15-17-12(18-16-11)10-3-7-14-8-4-10/h1-8H
InChIKey
MQSMIIJCRWDMDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
64.08
TPSA
77.34

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
-0.2
Consensus LogP
0.81
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-3.17

Drug-likeness / Medicinal Chemistry

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

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