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CAS 18039-42-4 5-Phenyltetrazole molecular structure lightbox
CAS RN: 18039-42-4

5-Phenyltetrazole

Product Availability

Choose a grade to view its available package options.

8 package records6 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251106 100g In stock Inquiry
Batchno.20250613 2.5kg In stock Inquiry
Batchno.20250708 25g In stock Inquiry
Batchno.20250322 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250619 100g Out of stock Inquiry
Batchno.20250324 25g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250719 25g In stock Shanghai Inquiry
  • Product code: SSC-081172
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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: 25g, 100g, 500g
  • Available purity: ≥98%
  • 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 18039-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

18039-42-4 / 5-phenyl-2H-tetrazole

Standard CAS: 18039-42-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18039-42-4
Multi CAS
No
Molecular Formula
C7H6N4
Molecular Weight
146.150000
Exact Mass
146.059246
SMILES
C1=CC=C(C=C1)C2=NNN=N2
InChI
InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
InChIKey
MARUHZGHZWCEQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.61
TPSA
54.46

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
1.1
Consensus LogP
0.91
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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