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CAS 461-88-1 PYRIDINE-2,4-DIAMINE molecular structure lightbox
CAS RN: 461-88-1

PYRIDINE-2,4-DIAMINE

  • Product code: SSC-153662
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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 461-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

461-88-1 / pyridine-2,4-diamine

Standard CAS: 461-88-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
461-88-1
Multi CAS
No
Molecular Formula
C5H7N3
Molecular Weight
109.130000
Exact Mass
109.063997
InChI
InChI=1S/C5H7N3/c6-4-1-2-8-5(7)3-4/h1-3H,(H4,6,7,8)
InChIKey
IFFLKGMDBKQMAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33.06
TPSA
64.93

LogP / Solubility

WLOGP
0.25
MLOGP
0.21
XLogP3
-0.2
Consensus LogP
0.09
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-3.21

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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