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CAS 26087-47-8 Iprobenfos standard solution, 100μg/ml,u=4% molecular structure lightbox
CAS RN: 26087-47-8

Iprobenfos standard solution, 100μg/ml,u=4%

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 1ml In stock Shanghai, Guangdong, Chongqing Inquiry
  • Product code: LINI811985
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26087-47-8 / di(propan-2-yloxy)phosphorylsulfanylmethylbenzene

Standard CAS: 26087-47-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26087-47-8
Multi CAS
No
Molecular Formula
C13H21O3PS
Molecular Weight
288.340000
Exact Mass
288.094903
SMILES
CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
InChI
InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKey
FCOAHACKGGIURQ-UHFFFAOYSA-N

Physical Properties

Melting Point
< 25 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
77.79
TPSA
35.53

LogP / Solubility

WLOGP
4.88
MLOGP
4.3
XLogP3
3.2
Consensus LogP
4.13
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02

Drug-likeness / Medicinal Chemistry

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

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