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CAS 1094292-72-4 6-CHLORO-3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE molecular structure lightbox
CAS RN: 1094292-72-4

6-CHLORO-3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE

  • Product code: SSC-010750
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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 1094292-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1094292-72-4 / 6-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazine

6-CHLORO-3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE | MFCD11182547 | 6-Chloro-3-cyclobutyl[1,2,4]triazolo[4,3-b]pyridazine

Standard CAS: 1094292-72-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094292-72-4
Multi CAS
No
Molecular Formula
C9H9ClN4
Molecular Weight
208.650000
Exact Mass
208.051574
SMILES
C1CC(C1)C2=NN=C3N2N=C(C=C3)Cl
InChI
InChI=1S/C9H9ClN4/c10-7-4-5-8-11-12-9(14(8)13-7)6-2-1-3-6/h4-6H,1-3H2
InChIKey
GLOLCOQONUEGTN-UHFFFAOYSA-N
Synonyms
6-CHLORO-3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE MFCD11182547 6-Chloro-3-cyclobutyl[1,2,4]triazolo[4,3-b]pyridazine ALBB-032480 AKOS009332527

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.38
TPSA
43.08

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-2.54

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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