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CAS 90417-51-9 1H-Benzimidazole-5-aceticacid,2,3-dihydro-2-oxo-(9CI) molecular structure lightbox
CAS RN: 90417-51-9

1H-Benzimidazole-5-aceticacid,2,3-dihydro-2-oxo-(9CI)

  • Product code: SSC-202937
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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 90417-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

90417-51-9 / 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid

Standard CAS: 90417-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90417-51-9
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
InChI
InChI=1S/C9H8N2O3/c12-8(13)4-5-1-2-6-7(3-5)11-9(14)10-6/h1-3H,4H2,(H,12,13)(H2,10,11,14)
InChIKey
OAFRCZCYWOFYGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
50.26
TPSA
85.95

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
Consensus LogP
0.3
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

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

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