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CAS 2044706-90-1 3-BROMO-6-CYCLOPROPYLPYRIDAZINE HBR molecular structure lightbox
CAS RN: 2044706-90-1

3-BROMO-6-CYCLOPROPYLPYRIDAZINE HBR

  • Product code: SSC-096221
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 2044706-90-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

2044706-90-1 / 3-bromo-6-cyclopropylpyridazine;hydrobromide

Standard CAS: 2044706-90-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2044706-90-1
Multi CAS
No
Molecular Formula
C7H8Br2N2
Molecular Weight
279.960000
Exact Mass
279.903370
SMILES
C1CC1C2=NN=C(C=C2)Br.Br
InChI
InChI=1S/C7H7BrN2.BrH/c8-7-4-3-6(9-10-7)5-1-2-5;/h3-5H,1-2H2;1H
InChIKey
JLVLXUDZCIOVJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.03
TPSA
25.78

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
2.69
Consensus LogP
2.59
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

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

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