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CAS 875282-58-9 1H-1,2,3-Benzotriazole-5-carboxamide molecular structure lightbox
CAS RN: 875282-58-9

1H-1,2,3-Benzotriazole-5-carboxamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250818 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-197619
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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 875282-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

875282-58-9 / 2H-benzotriazole-5-carboxamide

Standard CAS: 875282-58-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
875282-58-9
Multi CAS
No
Molecular Formula
C7H6N4O
Molecular Weight
162.150000
Exact Mass
162.054161
InChI
InChI=1S/C7H6N4O/c8-7(12)4-1-2-5-6(3-4)10-11-9-5/h1-3H,(H2,8,12)(H,9,10,11)
InChIKey
YVNXBDIBOMELMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.41
TPSA
84.66

LogP / Solubility

WLOGP
0.06
MLOGP
0.05
XLogP3
-0.1
Consensus LogP
0.0000
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
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)
-3.67

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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