CAS RN: 54029-20-8
FENBENDAZOLE SULFONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260524 | 10mg | Out of stock | 20 business days | Inquiry |
- Product code: starshine_CAS54029-20-8
- Purity/Analytical Methods: >99.0%
54029-20-8 / methyl N-[6-(benzenesulfonyl)-1H-benzimidazol-2-yl]carbamate
Basic Information
CAS
54029-20-8
Multi CAS
Yes
Molecular Formula
C15H13N3O4S
Molecular Weight
331.300000
Exact Mass
331.062677
InChI
InChI=1S/C15H13N3O4S/c1-22-15(19)18-14-16-12-8-7-11(9-13(12)17-14)23(20,21)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKey
UAFDGCOOJPIAHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.02
TPSA
101.15
LogP / Solubility
WLOGP
2.57
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.38
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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