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CAS 22994-85-0 Benznidazole molecular structure lightbox
CAS RN: 22994-85-0

Benznidazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 10mg / 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-111716
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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 22994-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

22994-85-0 / N-benzyl-2-(2-nitroimidazol-1-yl)acetamide

Standard CAS: 22994-85-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22994-85-0
Multi CAS
No
Molecular Formula
C12H12N4O3
Molecular Weight
260.250000
Exact Mass
260.090940
SMILES
C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
InChIKey
CULUWZNBISUWAS-UHFFFAOYSA-N

Physical Properties

Melting Point
190-192

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.17
TPSA
90.06

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.9
Consensus LogP
1
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

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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