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CAS 41198-08-7 Profenofos, 100μg/mL, U(%)=2 in methanol molecular structure lightbox
CAS RN: 41198-08-7

Profenofos, 100μg/mL, U(%)=2 in methanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260130 1ml In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: LINP816535
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41198-08-7 / 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

Standard CAS: 41198-08-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
41198-08-7
Multi CAS
Yes
Molecular Formula
C11H15BRCLO3PS
Molecular Weight
373.630000
Exact Mass
371.935140
InChI
InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKey
QYMMJNLHFKGANY-UHFFFAOYSA-N

Physical Properties

Boiling Point
100 °C @ 1.35X10-2 mm Hg
Density
1.455 @ 20 °C
Physical Description
Profenofos is a pale yellow liquid with garlic-like odor. Corrosive. Used as an insecticide. Pale yellow or amber liquid with an odor like garlic; [HSDB]
Appearance
Pale yellow liquid Amber color, oily liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
81.76
TPSA
35.53

LogP / Solubility

WLOGP
5.77
MLOGP
5.1
XLogP3
4.7
Consensus LogP
5.19
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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