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CAS 25864-34-0 2-Amino-3,5-dinitro-6-methylpyridine molecular structure lightbox
CAS RN: 25864-34-0

2-Amino-3,5-dinitro-6-methylpyridine

  • Product code: SSC-122501
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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: 5g
  • 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 25864-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

25864-34-0 / 6-methyl-3,5-dinitropyridin-2-amine

Standard CAS: 25864-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25864-34-0
Multi CAS
No
Molecular Formula
C6H6N4O4
Molecular Weight
198.140000
Exact Mass
198.038905
SMILES
CC1=NC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
InChI
InChI=1S/C6H6N4O4/c1-3-4(9(11)12)2-5(10(13)14)6(7)8-3/h2H,1H3,(H2,7,8)
InChIKey
KWYALJWSYDOZON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
46.7
TPSA
125.19

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
1.1
Consensus LogP
0.86
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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