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CAS 66557-64-0 2-(1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZOTHIAZOLE molecular structure lightbox
CAS RN: 66557-64-0

2-(1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZOTHIAZOLE

  • Product code: SSC-176257
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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: 0.25g
  • 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 66557-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

66557-64-0 / 2-(1H-benzimidazol-2-ylmethyl)-1,3-benzothiazole

Standard CAS: 66557-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66557-64-0
Multi CAS
No
Molecular Formula
C15H11N3S
Molecular Weight
265.300000
Exact Mass
265.067369
InChI
InChI=1S/C15H11N3S/c1-2-6-11-10(5-1)16-14(17-11)9-15-18-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,16,17)
InChIKey
JLURXEZDKXSDTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.52
TPSA
41.57

LogP / Solubility

WLOGP
3.76
MLOGP
3.32
XLogP3
3.9
Consensus LogP
3.66
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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