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CAS 1934985-61-1 2,6-Diamino-5-bromonicotinic Acid molecular structure lightbox
CAS RN: 1934985-61-1

2,6-Diamino-5-bromonicotinic Acid

  • Product code: SSC-090979
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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: 2
  • 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 1934985-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1934985-61-1 / 2,6-diamino-5-bromopyridine-3-carboxylic acid

Standard CAS: 1934985-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1934985-61-1
Multi CAS
No
Molecular Formula
C6H6BrN3O2
Molecular Weight
232.030000
Exact Mass
230.964340
SMILES
C1=C(C(=NC(=C1Br)N)N)C(=O)O
InChI
InChI=1S/C6H6BrN3O2/c7-3-1-2(6(11)12)4(8)10-5(3)9/h1H,(H,11,12)(H4,8,9,10)
InChIKey
OSBHKMMKZAZFAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
47.72
TPSA
102.23

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.9
Consensus LogP
0.75
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.63

Drug-likeness / Medicinal Chemistry

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

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