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CAS 13480-43-8 5,8-dichloropyrazino[2,3-d]pyridazine molecular structure lightbox
CAS RN: 13480-43-8

5,8-dichloropyrazino[2,3-d]pyridazine

  • Product code: SSC-042690
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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: 5g
  • Available purity: ≥95%
  • 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 13480-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

13480-43-8 / 5,8-dichloropyrazino[2,3-d]pyridazine

Standard CAS: 13480-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13480-43-8
Multi CAS
No
Molecular Formula
C6H2Cl2N4
Molecular Weight
201.010000
Exact Mass
199.965652
SMILES
C1=CN=C2C(=N1)C(=NN=C2Cl)Cl
InChI
InChI=1S/C6H2Cl2N4/c7-5-3-4(6(8)12-11-5)10-2-1-9-3/h1-2H
InChIKey
NTGDKCOBTQISBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
4
Molar refractivity
45.15
TPSA
51.56

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.72

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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