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CAS 794592-14-6 3-broMo-8-chloropyrido[2,3-d]pyridazine molecular structure lightbox
CAS RN: 794592-14-6

3-broMo-8-chloropyrido[2,3-d]pyridazine

  • Product code: SSC-188635
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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: ≥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 794592-14-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

794592-14-6 / 3-bromo-8-chloropyrido[2,3-d]pyridazine

Standard CAS: 794592-14-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
794592-14-6
Multi CAS
No
Molecular Formula
C7H3BRCLN3
Molecular Weight
244.470000
Exact Mass
242.919890
InChI
InChI=1S/C7H3BrClN3/c8-5-1-4-2-11-12-7(9)6(4)10-3-5/h1-3H
InChIKey
NRDBHDGVXOYYLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
50.04
TPSA
38.67

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
1.8
Consensus LogP
2.13
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

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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