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CAS 53257-40-2 5-(2-NITROPHENYL)-2H-TETRAZOLE molecular structure lightbox
CAS RN: 53257-40-2

5-(2-NITROPHENYL)-2H-TETRAZOLE

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 100mg Out of stock Inquiry
Batchno.20260518 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250202 250mg Out of stock Inquiry
Batchno.20250811 50mg Out of stock Inquiry
  • Product code: SSC-160481
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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: 0.25g
  • 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 53257-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

53257-40-2 / 5-(2-nitrophenyl)-2H-tetrazole

Standard CAS: 53257-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53257-40-2
Multi CAS
No
Molecular Formula
C7H5N5O2
Molecular Weight
191.150000
Exact Mass
191.044324
InChI
InChI=1S/C7H5N5O2/c13-12(14)6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11)
InChIKey
HENCYJMPEDACFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.27
TPSA
97.6

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
1
Consensus LogP
0.82
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-3.34

Drug-likeness / Medicinal Chemistry

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

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