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CAS 50426-31-8 4-N,4-N-DIMETHYLPYRIDINE-2,4-DIAMINE molecular structure lightbox
CAS RN: 50426-31-8

4-N,4-N-DIMETHYLPYRIDINE-2,4-DIAMINE

  • Product code: SSC-156959
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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 50426-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

50426-31-8 / 4-N,4-N-dimethylpyridine-2,4-diamine

Standard CAS: 50426-31-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50426-31-8
Multi CAS
No
Molecular Formula
C7H11N3
Molecular Weight
137.180000
Exact Mass
137.095297
InChI
InChI=1S/C7H11N3/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3,(H2,8,9)
InChIKey
QEDNABCLVCJRLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.98
TPSA
42.15

LogP / Solubility

WLOGP
0.73
MLOGP
0.63
XLogP3
0.6
Consensus LogP
0.65
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-3.04

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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