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CAS 3878-19-1 FUBERIDAZOLE molecular structure lightbox
CAS RN: 3878-19-1

FUBERIDAZOLE

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Batchno.20250511 250mg In stock Inquiry
  • Product code: starshine_CAS3878-19-1
  • Purity/Analytical Methods: >99.0%
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3878-19-1 / 2-(furan-2-yl)-1H-benzimidazole

Standard CAS: 3878-19-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3878-19-1
Multi CAS
No
Molecular Formula
C11H8N2O
Molecular Weight
184.190000
Exact Mass
184.063663
InChI
InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
InChIKey
UYJUZNLFJAWNEZ-UHFFFAOYSA-N

Physical Properties

Melting Point
536 to 550 °F decomposes (EPA, 1998)
Physical Description
Fuberidazole is a crystalline powder. Used in cereal seed dressing and fungicidal non-mercurial seed dressing with special action against fusarium. Not registered as a pesticide in the U.S. (EPA, 1998)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.8
TPSA
41.82

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.2
Consensus LogP
2.5
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

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