CAS RN: 31218-83-4
Propetamphos in acetone, 100μg/mL, U(%)=2 in acetone
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8 package records 1 with current stock 8 grade groups
Grade
100 μg/mL in Methanol, Uncertainty 3% (1)
1000μg/mL in Acetonitrile, uncertainty2% (1)
1000μg/mL in Methanol, uncertainty2% (1)
100μg/mL in Acetonitrile (1)
100μg/mL in Cyclohexane (1)
100μg/mL in Methanol, uncertainty3% (1)
10μg/mL in Acetonitrile (1)
10μg/mL in Cyclohexane (1)
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Batchno.20250531
1.2ml
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Batchno.20260601
1.2ml
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Batchno.20250803
1.2ml
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Batchno.20250110
1ml
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Batchno.20250912
1ml
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Batchno.20260404
1.2ml
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Batchno.20260312
1ml
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Batchno.20250314
1ml
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31218-83-4 / propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
Standard CAS: 31218-83-4
Multi CAS: Yes
Basic Information
copy
CAS
31218-83-4 copy
Multi CAS
Yes copy
Molecular Formula
C10H20NO4PS copy
Molecular Weight
281.310000 copy
Exact Mass
281.085066 copy
InChI
InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+ copy
InChIKey
BZNDWPRGXNILMS-VQHVLOKHSA-N copy
Physical Properties
copy
Boiling Point
87-89 °C @ 0.005 mm Hg copy
Density
1.1294 @ 20 °C copy
Physical Description
Propetamphos is a yellow oily liquid. Non corrosive. Used as an insecticide.
Sold as aerosols, emulsified concentrates, liquids, and powders; [EXTOXNET] copy
State
Liquid copy
Computed Properties
copy
Structural Parameters
Heavy atom count
17 copy
Fraction Csp3
0.7 copy
Rotatable bonds
7 copy
H-bond acceptors
5 copy
H-bond donors
1 copy
Molar refractivity
71.04 copy
TPSA
56.79 copy
LogP / Solubility
WLOGP
2.34 copy
MLOGP
2.07 copy
XLogP3
2.8 copy
Consensus LogP
2.4 copy
Log S (ESOL)
-2.6 copy
Class (ESOL)
Moderately soluble copy
Log S (Ali)
-3.56 copy
Class (Ali)
Poorly soluble copy
Log S (SILICOS-IT)
-4.27 copy
Class (SILICOS-IT)
Slightly soluble copy
ADME
GI absorption
High copy
BBB permeant
Yes copy
P-gp substrate
No copy
CYP1A2 inhibitor
No copy
CYP2C19 inhibitor
No copy
CYP2C9 inhibitor
No copy
CYP2D6 inhibitor
Yes copy
CYP3A4 inhibitor
No copy
Log Kp (skin permeation)
-2.78 copy
Drug-likeness / Medicinal Chemistry
Lipinski
Yes copy
Ghose
No copy
Veber
Yes copy
Egan
Yes copy
Muegge
Yes copy
Bioavailability score
0.55 copy
Brenk alerts
1 copy
Leadlikeness
Yes copy
Synthetic Accessibility
2 copy