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CAS 129909-90-6 Amicarbazone molecular structure lightbox
CAS RN: 129909-90-6

Amicarbazone

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250130 100mg Out of stock 5-7 business days Inquiry
Batchno.20260402 10mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS129909-90-6
  • Purity/Analytical Methods: >99.0%
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129909-90-6 / 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide

Standard CAS: 129909-90-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
129909-90-6
Multi CAS
No
Molecular Formula
C10H19N5O2
Molecular Weight
241.290000
Exact Mass
241.153875
SMILES
CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C
InChI
InChI=1S/C10H19N5O2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5/h6H,11H2,1-5H3,(H,12,16)
InChIKey
ORFPWVRKFLOQHK-UHFFFAOYSA-N

Physical Properties

Melting Point
137.5 °C
Density
1.12
Appearance
Colorless crystals
State
Solid
Storage Conditions
Store in a cool, dry place and in such a manner as to prevent cross contamination with other pesticides, fertilizers, food, and feed. Store in original container and out of reach of children, preferably in a locked storage area. Handle and open container in a manner as to prevent spillage. If the container is leaking or material spilled for any reason or cause, carefully sweep material into a pile.... Do not walk through spilled material. In spill or leak incidents, keep unauthorized people away.

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.41
TPSA
94.94

LogP / Solubility

WLOGP
0.24
MLOGP
0.21
XLogP3
1
Consensus LogP
0.48
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

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)
-4.02

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (65.1%): Harmful if inhaled [Warning Acute toxicity, inhalation] H400 (34.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (34.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501

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