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CAS 1440965-10-5 3-chloro-6-(1-cyclopropyl-1H-pyrazol-4-yl)pyridazine molecular structure lightbox
CAS RN: 1440965-10-5

3-chloro-6-(1-cyclopropyl-1H-pyrazol-4-yl)pyridazine

  • Product code: SSC-055353
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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: 0.25g, 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 1440965-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1440965-10-5 / 3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine

Standard CAS: 1440965-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1440965-10-5
Multi CAS
No
Molecular Formula
C10H9ClN4
Molecular Weight
220.660000
Exact Mass
220.051574
SMILES
C1CC1N2C=C(C=N2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C10H9ClN4/c11-10-4-3-9(13-14-10)7-5-12-15(6-7)8-1-2-8/h3-6,8H,1-2H2
InChIKey
HNUJVEWBLUBNRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.53
TPSA
43.6

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
1.2
Consensus LogP
1.86
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
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)
-2.41

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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