CAS RN: 29232-93-7

Pirimiphos-methyl solution, 100μg/mL,u=2% in acetone

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Batchno.20251207 1ml Out of stock 5-7 business days Inquiry
  • Product code: LINP816615
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29232-93-7 / 4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine

Standard CAS: 29232-93-7 Multi CAS: No

Basic Information

CAS
29232-93-7
Multi CAS
No
Molecular Formula
C11H20N3O3PS
Molecular Weight
305.340000
Exact Mass
305.096300
InChI
InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
InChIKey
QHOQHJPRIBSPCY-UHFFFAOYSA-N

Physical Properties

Melting Point
MP: 15-18 °C /Technical/
Boiling Point
Decomposes on distillation decomposes
Density
1.17 at 20 °C
Physical Description
Pirimiphos-methyl is a yellow liquid. Corrosive to tin and mild steel. Used as an insecticide. Straw colored liquid; mp = 15-18 deg C (technical grade); [HSDB] Yellow or straw-colored liquid.
Appearance
Straw-colored liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
79.26
TPSA
56.71

LogP / Solubility

WLOGP
2.53
MLOGP
2.24
XLogP3
4.2
Consensus LogP
2.99
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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

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