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CAS 618439-82-0 PYRIDINE-3,4,5-TRIAMINE molecular structure lightbox
CAS RN: 618439-82-0

PYRIDINE-3,4,5-TRIAMINE

  • Product code: SSC-170811
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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: ＞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 618439-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

618439-82-0 / pyridine-3,4,5-triamine

Standard CAS: 618439-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
618439-82-0
Multi CAS
No
Molecular Formula
C5H8N4
Molecular Weight
124.140000
Exact Mass
124.074896
InChI
InChI=1S/C5H8N4/c6-3-1-9-2-4(7)5(3)8/h1-2H,6-7H2,(H2,8,9)
InChIKey
UIQHHOMREHEPJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
37.47
TPSA
90.95

LogP / Solubility

WLOGP
-0.17
MLOGP
-0.16
XLogP3
-1.2
Consensus LogP
-0.51
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very 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)
-3.6

Drug-likeness / Medicinal Chemistry

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

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