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CAS 16681-80-4 5-Bromo-2-methyl-1H-tetrazole molecular structure lightbox
CAS RN: 16681-80-4

5-Bromo-2-methyl-1H-tetrazole

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20260210 1g In stock Shanghai Inquiry
Batchno.20260406 250mg In stock Shanghai Inquiry
Batchno.20250918 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250924 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-072793
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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: 5g
  • 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 16681-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

16681-80-4 / 5-bromo-2-methyltetrazole

Standard CAS: 16681-80-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16681-80-4
Multi CAS
No
Molecular Formula
C2H3BrN4
Molecular Weight
162.980000
Exact Mass
161.954110
SMILES
CN1N=C(N=N1)Br
InChI
InChI=1S/C2H3BrN4/c1-7-5-2(3)4-6-7/h1H3
InChIKey
FTCJTCRPKDANII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
4
Molar refractivity
26.5
TPSA
43.6

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
1.1
Consensus LogP
0.35
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very 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)
-3.73

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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