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CAS 920509-28-0 6-(4-amino-2,6-dichlorophenoxy)-4-isopropylpyridazin-3(2H)-one(WXG00197) molecular structure lightbox
CAS RN: 920509-28-0

6-(4-amino-2,6-dichlorophenoxy)-4-isopropylpyridazin-3(2H)-one(WXG00197)

  • Product code: SSC-205633
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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 920509-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

920509-28-0 / 3-(4-amino-2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one

Standard CAS: 920509-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
920509-28-0
Multi CAS
No
Molecular Formula
C13H13CL2N3O2
Molecular Weight
314.160000
Exact Mass
313.038482
InChI
InChI=1S/C13H13Cl2N3O2/c1-6(2)8-5-11(17-18-13(8)19)20-12-9(14)3-7(16)4-10(12)15/h3-6H,16H2,1-2H3,(H,18,19)
InChIKey
PFQNEKHHAFIRRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.9
TPSA
81

LogP / Solubility

WLOGP
3.57
MLOGP
3.16
XLogP3
2.9
Consensus LogP
3.21
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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