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CAS 13616-37-0 Ethyl 1H-Tetrazole-5-acetate molecular structure lightbox
CAS RN: 13616-37-0

Ethyl 1H-Tetrazole-5-acetate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 10g In stock Shanghai Inquiry
Batchno.20250225 1g In stock Shanghai Inquiry
Batchno.20250923 25g In stock Shanghai Inquiry
Batchno.20250511 5g In stock Shanghai Inquiry
  • Product code: SSC-045051
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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: ≥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 13616-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

13616-37-0 / ethyl 2-(2H-tetrazol-5-yl)acetate

Standard CAS: 13616-37-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13616-37-0
Multi CAS
No
Molecular Formula
C5H8N4O2
Molecular Weight
156.140000
Exact Mass
156.064726
SMILES
CCOC(=O)CC1=NNN=N1
InChI
InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)
InChIKey
NAOHMNNTUFFTBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
34.51
TPSA
80.76

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.62
XLogP3
-0.3
Consensus LogP
-0.54
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.17

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 (97.6%): 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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