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CAS 82050-13-3 2-AMINOFLUBENDAZOLE molecular structure lightbox
CAS RN: 82050-13-3

2-AMINOFLUBENDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250602 5mg / 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS82050-13-3
  • Purity/Analytical Methods: >99.0%
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82050-13-3 / (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone

Standard CAS: 82050-13-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82050-13-3
Multi CAS
No
Molecular Formula
C14FH10N3O
Molecular Weight
255.250000
Exact Mass
255.080790
InChI
InChI=1S/C14H10FN3O/c15-10-4-1-8(2-5-10)13(19)9-3-6-11-12(7-9)18-14(16)17-11/h1-7H,(H3,16,17,18)
InChIKey
WINHLTQNRABBSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.34
TPSA
71.77

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

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

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