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CAS 1246552-73-7 3-bromo-6-methoxypyrazolo[1,5-b]pyridazine molecular structure lightbox
CAS RN: 1246552-73-7

3-bromo-6-methoxypyrazolo[1,5-b]pyridazine

  • Product code: SSC-028723
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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: 1g
  • Available purity: ＞97%
  • 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 1246552-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1246552-73-7 / 3-bromo-6-methoxypyrazolo[1,5-b]pyridazine

Standard CAS: 1246552-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246552-73-7
Multi CAS
No
Molecular Formula
C7H6BrN3O
Molecular Weight
228.050000
Exact Mass
226.969420
SMILES
COC1=NN2C(=C(C=N2)Br)C=C1
InChI
InChI=1S/C7H6BrN3O/c1-12-7-3-2-6-5(8)4-9-11(6)10-7/h2-4H,1H3
InChIKey
IQYHNHRYFCMGSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.24
TPSA
39.42

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

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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