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CAS 21472-33-3 Mebendazole IMpurity B molecular structure lightbox
CAS RN: 21472-33-3

Mebendazole IMpurity B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260507 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS21472-33-3
  • Purity/Analytical Methods: >99.0%
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21472-33-3 / 5-benzoyl-1,3-dihydrobenzimidazol-2-one

Standard CAS: 21472-33-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21472-33-3
Multi CAS
No
Molecular Formula
C14H10N2O2
Molecular Weight
238.240000
Exact Mass
238.074228
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=O)N3
InChI
InChI=1S/C14H10N2O2/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)16-14(18)15-11/h1-8H,(H2,15,16,18)
InChIKey
HUBCTWDCEBWLBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.79
TPSA
65.72

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

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

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