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CAS 60254-95-7 5-hydroxymebendazole molecular structure lightbox
CAS RN: 60254-95-7

5-hydroxymebendazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS60254-95-7
  • Purity/Analytical Methods: >99.0%
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60254-95-7 / methyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate

Standard CAS: 60254-95-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60254-95-7
Multi CAS
No
Molecular Formula
C16H15N3O3
Molecular Weight
297.310000
Exact Mass
297.111341
InChI
InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)
InChIKey
IIQKUGXEGMZCLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
82.63
TPSA
87.24

LogP / Solubility

WLOGP
2.82
MLOGP
2.5
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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