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CAS 19666-30-9 Oxadiazon solution, 100μg/ml,u=2% molecular structure lightbox
CAS RN: 19666-30-9

Oxadiazon solution, 100μg/ml,u=2%

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 100mg Out of stock 8-10 business days Inquiry
  • Product code: LINO815221
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19666-30-9 / 5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one

Standard CAS: 19666-30-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
19666-30-9
Multi CAS
No
Molecular Formula
C15H18Cl2N2O3
Molecular Weight
345.200000
Exact Mass
344.069448
SMILES
CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl
InChI
InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
InChIKey
CHNUNORXWHYHNE-UHFFFAOYSA-N

Physical Properties

Melting Point
90 °C
Density
1.26 mg/l
Physical Description
Oxydiazon is a crystalline solid. Used as an herbicide. White odorless solid; [Merck Index]
Appearance
White crystals Colorless crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
86.58
TPSA
57.26

LogP / Solubility

WLOGP
4.22
MLOGP
3.73
XLogP3
4.8
Consensus LogP
4.25
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Environmental Hazard Health Hazard
Signal
Warning
GHS Hazard Statements
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P273, P391, and P501 P203, P260, P280, P318, P319, P405, and P501

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