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CAS 1228182-47-5 Fenbendazole-d3 molecular structure lightbox
CAS RN: 1228182-47-5

Fenbendazole-d3

  • Product code: SSC-026336
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.01g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1228182-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g ≥95% 0 Out of Stock Beijing Inquiry

1228182-47-5 / trideuteriomethyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate

Standard CAS: 1228182-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228182-47-5
Multi CAS
No
Molecular Formula
C15H13N3O2S
Molecular Weight
302.400000
Exact Mass
302.091678
SMILES
[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)/i1D3
InChIKey
HDDSHPAODJUKPD-FIBGUPNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
82.69
TPSA
67.01

LogP / Solubility

WLOGP
3.89
MLOGP
3.44
XLogP3
3.6
Consensus LogP
3.64
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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