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CAS 1300750-77-9 2-broMo-3-iodopyridin-4-aMine molecular structure lightbox
CAS RN: 1300750-77-9

2-broMo-3-iodopyridin-4-aMine

  • Product code: SSC-036800
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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, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1300750-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shanghai Inquiry

1300750-77-9 / 2-bromo-3-iodopyridin-4-amine

Standard CAS: 1300750-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1300750-77-9
Multi CAS
No
Molecular Formula
C5H4BrIN2
Molecular Weight
298.910000
Exact Mass
297.860260
SMILES
C1=CN=C(C(=C1N)I)Br
InChI
InChI=1S/C5H4BrIN2/c6-5-4(7)3(8)1-2-9-5/h1-2H,(H2,8,9)
InChIKey
ZQGREJZTHYAJKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.07
TPSA
38.91

LogP / Solubility

WLOGP
2.03
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

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

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