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CAS 120162-55-2 Azimsulfuron molecular structure lightbox
CAS RN: 120162-55-2

Azimsulfuron

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2 package records1 with current stock1 grade group
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Batchno.20250826 100mg In stock Inquiry
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  • Product code: starshine_CAS120162-55-2
  • Purity/Analytical Methods: >99.0%
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120162-55-2 / 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea

Azimsulfuron | DPX 47 | DPX-A 8947

Standard CAS: 120162-55-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
120162-55-2
Multi CAS
No
Molecular Formula
C13H16N10O5S
Molecular Weight
424.400000
Exact Mass
424.102585
SMILES
CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC
InChI
InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)
InChIKey
MAHPNPYYQAIOJN-UHFFFAOYSA-N
Synonyms
Azimsulfuron DPX 47 DPX-A 8947 IN-A 894 A-8947

Physical Properties

Melting Point
170 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
2
Molar refractivity
95.48
TPSA
180.93

LogP / Solubility

WLOGP
-1.07
MLOGP
-0.92
XLogP3
0.3
Consensus LogP
-0.56
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-6.07

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Environmental 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]
Precautionary Statement Codes
P273, P391, and P501

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