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CAS 104098-48-8 Imazameth molecular structure lightbox
CAS RN: 104098-48-8

Imazameth

  • Product code: SSC-005865
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104098-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

104098-48-8 / 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

Imazapic | Imazameth | Imazmethapyr

Standard CAS: 104098-48-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104098-48-8
Multi CAS
No
Molecular Formula
C14H17N3O3
Molecular Weight
275.300000
Exact Mass
275.126991
SMILES
CC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O
InChI
InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)
InChIKey
PVSGXWMWNRGTKE-UHFFFAOYSA-N
Synonyms
Imazapic Imazameth Imazmethapyr Imazamethapyr CADRE

Physical Properties

Melting Point
204-206 °C
Appearance
Off-white to tan powder
State
Solid
Storage Conditions
Do not contaminate water, food or feed by storage or disposal. ... Keep from freezing, do not store below 20 °F. /Cadre Herbicide/

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.86
TPSA
91.65

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.6
Consensus LogP
1.4
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (99.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (99.2%): 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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