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CAS 449758-24-1 2-(1H-TETRAZOL-1-YL)BENZAMIDE molecular structure lightbox
CAS RN: 449758-24-1

2-(1H-TETRAZOL-1-YL)BENZAMIDE

  • Product code: SSC-152852
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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 449758-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

449758-24-1 / 2-(tetrazol-1-yl)benzamide

Standard CAS: 449758-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
449758-24-1
Multi CAS
No
Molecular Formula
C8H7N5O
Molecular Weight
189.170000
Exact Mass
189.065060
InChI
InChI=1S/C8H7N5O/c9-8(14)6-3-1-2-4-7(6)13-5-10-11-12-13/h1-5H,(H2,9,14)
InChIKey
PFZBNUJWWHCHJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.67
TPSA
86.69

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.21
XLogP3
0.1
Consensus LogP
-0.12
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-4.04

Drug-likeness / Medicinal Chemistry

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

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