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CAS 96489-71-3 Pyridaben, 100μg/mL, U(%)=2 in acetone molecular structure lightbox
CAS RN: 96489-71-3

Pyridaben, 100μg/mL, U(%)=2 in acetone

Product Availability

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4 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260615 1.2ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 1.2ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 1g In stock Shanghai Inquiry
Batchno.20250803 250mg In stock Shanghai Inquiry
  • Product code: SSC-212015
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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
  • 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 96489-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

96489-71-3 / 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one

Standard CAS: 96489-71-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
96489-71-3
Multi CAS
Yes
Molecular Formula
C19H25CLN2OS
Molecular Weight
364.900000
Exact Mass
364.137612
InChI
InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
InChIKey
DWFZBUWUXWZWKD-UHFFFAOYSA-N

Physical Properties

Melting Point
111-112 °C
Density
1.2 @ 20 °C
Physical Description
White odorless solid; [Merck Index] Colorless odorless solid; [HSDB]
Appearance
Colorless crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
103.21
TPSA
34.89

LogP / Solubility

WLOGP
5.24
MLOGP
4.63
XLogP3
5.2
Consensus LogP
5.02
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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