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CAS 18489-25-3 5-Benzyl-1H-tetrazole molecular structure lightbox
CAS RN: 18489-25-3

5-Benzyl-1H-tetrazole

Product Availability

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9 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260416 100g In stock Inquiry
Batchno.20260614 1g In stock Inquiry
Batchno.20250116 250mg In stock Shanghai Inquiry
Batchno.20250601 25g In stock Inquiry
Batchno.20251124 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 100g Out of stock Inquiry
Batchno.20251210 1g Out of stock Inquiry
Batchno.20250304 25g Out of stock Inquiry
Batchno.20251208 5g Out of stock Inquiry
  • Product code: SSC-085440
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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: 100g
  • 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 18489-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

18489-25-3 / 5-benzyl-2H-tetrazole

Standard CAS: 18489-25-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18489-25-3
Multi CAS
No
Molecular Formula
C8H8N4
Molecular Weight
160.180000
Exact Mass
160.074896
SMILES
C1=CC=C(C=C1)CC2=NNN=N2
InChI
InChI=1S/C8H8N4/c1-2-4-7(5-3-1)6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
InChIKey
HHDRWGJJZGJSGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.43
TPSA
54.46

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
1.4
Consensus LogP
0.96
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.14

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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