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CAS 28048-33-1 3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine Disodium Salt Hydrate molecular structure lightbox
CAS RN: 28048-33-1

3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine Disodium Salt Hydrate

  • Product code: SSC-128684
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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 28048-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

28048-33-1 / disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate

Standard CAS: 28048-33-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28048-33-1
Multi CAS
Yes
Molecular Formula
C20H12N4NA2O6S2
Molecular Weight
514.400000
Exact Mass
513.999365
InChI
InChI=1S/C20H14N4O6S2.2Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
InChIKey
DDIHLFCSEHAOJZ-UHFFFAOYSA-L

Physical Properties

Physical Description
Bright yellow powder with a pungent odor; Yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
10
Molar refractivity
109.86
TPSA
165.96

LogP / Solubility

WLOGP
-3.92
MLOGP
-3.41
XLogP3
-3.92
Consensus LogP
-3.75
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
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)
-8.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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