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CAS 396652-38-3 Methyl 1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-5-carboxylate molecular structure lightbox
CAS RN: 396652-38-3

Methyl 1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-5-carboxylate

  • Product code: SSC-147373
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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 396652-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

396652-38-3 / methyl 1-methyl-2-oxo-3H-benzimidazole-5-carboxylate

Standard CAS: 396652-38-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
396652-38-3
Multi CAS
Yes
Molecular Formula
C10H10N2O3
Molecular Weight
206.200000
Exact Mass
206.069142
InChI
InChI=1S/C10H10N2O3/c1-12-8-4-3-6(9(13)15-2)5-7(8)11-10(12)14/h3-5H,1-2H3,(H,11,14)
InChIKey
NOCITULOFUAWNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.88
TPSA
64.09

LogP / Solubility

WLOGP
0.65
MLOGP
0.58
XLogP3
0.6
Consensus LogP
0.61
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.51

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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