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CAS 61078-14-6 1-Methyl-2-(methylsulfonyl)benzimidazole molecular structure lightbox
CAS RN: 61078-14-6

1-Methyl-2-(methylsulfonyl)benzimidazole

  • Product code: SSC-169835
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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: ＞97%
  • 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 61078-14-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

61078-14-6 / 1-methyl-2-methylsulfonylbenzimidazole

Standard CAS: 61078-14-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61078-14-6
Multi CAS
No
Molecular Formula
C9H10N2O2S
Molecular Weight
210.260000
Exact Mass
210.046299
InChI
InChI=1S/C9H10N2O2S/c1-11-8-6-4-3-5-7(8)10-9(11)14(2,12)13/h3-6H,1-2H3
InChIKey
VDZVTXFWEKBHBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.82
TPSA
51.96

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

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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