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CAS 89791-76-4 2-Amino-3-nitro-4,6-dimethyl-5-bromopyridine molecular structure lightbox
CAS RN: 89791-76-4

2-Amino-3-nitro-4,6-dimethyl-5-bromopyridine

  • Product code: SSC-201829
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 89791-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry

89791-76-4 / 5-bromo-4,6-dimethyl-3-nitropyridin-2-amine

Standard CAS: 89791-76-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89791-76-4
Multi CAS
No
Molecular Formula
BC7H8O2Rn3
Molecular Weight
246.060000
Exact Mass
244.979990
InChI
InChI=1S/C7H8BrN3O2/c1-3-5(8)4(2)10-7(9)6(3)11(12)13/h1-2H3,(H2,9,10)
InChIKey
AWUOLSBKAQIADQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.48
TPSA
82.05

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
2.3
Consensus LogP
1.99
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately 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)
-2.84

Drug-likeness / Medicinal Chemistry

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

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