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CAS 6507-10-4 5,6-dimethyl-2-(pyridin-3-yl)-1H-benzo[d]imidazole molecular structure lightbox
CAS RN: 6507-10-4

5,6-dimethyl-2-(pyridin-3-yl)-1H-benzo[d]imidazole

  • Product code: SSC-174722
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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 6507-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6507-10-4 / 5,6-dimethyl-2-pyridin-3-yl-1H-benzimidazole

Standard CAS: 6507-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6507-10-4
Multi CAS
No
Molecular Formula
C14H13N3
Molecular Weight
223.270000
Exact Mass
223.110947
InChI
InChI=1S/C14H13N3/c1-9-6-12-13(7-10(9)2)17-14(16-12)11-4-3-5-15-8-11/h3-8H,1-2H3,(H,16,17)
InChIKey
UXTQYKZDUKVADS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.8
TPSA
41.57

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
2.8
Consensus LogP
2.97
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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