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CAS 80060-09-9 Diafenthiuron molecular structure lightbox
CAS RN: 80060-09-9

Diafenthiuron

  • Product code: SSC-189076
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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 80060-09-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

80060-09-9 / 1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea

Standard CAS: 80060-09-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80060-09-9
Multi CAS
Yes
Molecular Formula
C23H32N2OS
Molecular Weight
384.600000
Exact Mass
384.223535
InChI
InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)
InChIKey
WOWBFOBYOAGEEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
120.25
TPSA
33.29

LogP / Solubility

WLOGP
6.81
MLOGP
6.02
XLogP3
6
Consensus LogP
6.28
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-7.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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