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CAS 55408-47-4 2-Methyl-2H-tetrazole-5-carbaldehyde molecular structure lightbox
CAS RN: 55408-47-4

2-Methyl-2H-tetrazole-5-carbaldehyde

  • Product code: SSC-163318
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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, 1g
  • 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 55408-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

55408-47-4 / 2-methyltetrazole-5-carbaldehyde

Standard CAS: 55408-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55408-47-4
Multi CAS
No
Molecular Formula
C3H4N4O
Molecular Weight
112.090000
Exact Mass
112.038511
InChI
InChI=1S/C3H4N4O/c1-7-5-3(2-8)4-6-7/h2H,1H3
InChIKey
PPAQSZMPTHGKSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
24.19
TPSA
60.67

LogP / Solubility

WLOGP
-0.98
MLOGP
-0.87
XLogP3
-0.1
Consensus LogP
-0.65
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.1

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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