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CAS 946498-41-5 Albendazole EP Impurity J molecular structure lightbox
CAS RN: 946498-41-5

Albendazole EP Impurity J

  • Product code: SSC-209779
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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: 1g
  • 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 946498-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

946498-41-5 / methyl N-(4,6-dichloro-1H-benzimidazol-2-yl)carbamate

Standard CAS: 946498-41-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
946498-41-5
Multi CAS
No
Molecular Formula
C9H7CL2N3O2
Molecular Weight
260.070000
Exact Mass
258.991532
InChI
InChI=1S/C9H7Cl2N3O2/c1-16-9(15)14-8-12-6-3-4(10)2-5(11)7(6)13-8/h2-3H,1H3,(H2,12,13,14,15)
InChIKey
SFQNXHLHBGURHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.14
TPSA
67.01

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly 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)
-2.14

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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