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CAS 1430839-92-1 6-Cyclopropyl-1,6-dihydropyridazin-3(2H)-one molecular structure lightbox
CAS RN: 1430839-92-1

6-Cyclopropyl-1,6-dihydropyridazin-3(2H)-one

  • Product code: SSC-054421
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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 1430839-92-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1430839-92-1 / 3-cyclopropyl-2,3-dihydro-1H-pyridazin-6-one

Standard CAS: 1430839-92-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1430839-92-1
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
C1CC1C2C=CC(=O)NN2
InChI
InChI=1S/C7H10N2O/c10-7-4-3-6(8-9-7)5-1-2-5/h3-6,8H,1-2H2,(H,9,10)
InChIKey
YZZDKGUJGZXFPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.93
TPSA
41.13

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.05
XLogP3
0.2
Consensus LogP
0.04
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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