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CAS 92824-09-4 Acetic acid, 2-[(7-nitro-1H-benzimidazol-2-yl)thio]- molecular structure lightbox
CAS RN: 92824-09-4

Acetic acid, 2-[(7-nitro-1H-benzimidazol-2-yl)thio]-

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 100mg In stock Tianjin Inquiry
Batchno.20250609 1g In stock Tianjin Inquiry
Batchno.20260320 250mg In stock Shanghai Inquiry
Batchno.20260619 25mg In stock Tianjin Inquiry
Batchno.20250420 50mg Out of stock Inquiry
  • Product code: starshine_CAS92824-09-4
  • Purity/Analytical Methods: >99.0%
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92824-09-4 / 2-[(4-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid

Standard CAS: 92824-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92824-09-4
Multi CAS
No
Molecular Formula
C9H7N3O4S
Molecular Weight
253.240000
Exact Mass
253.015727
InChI
InChI=1S/C9H7N3O4S/c13-7(14)4-17-9-10-5-2-1-3-6(12(15)16)8(5)11-9/h1-3H,4H2,(H,10,11)(H,13,14)
InChIKey
QTOYMAXZJZKRRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.11
TPSA
109.12

LogP / Solubility

WLOGP
1.65
MLOGP
1.46
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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