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CAS 4706-43-8 1-BENZYL-1H-BENZOTRIAZOLE molecular structure lightbox
CAS RN: 4706-43-8

1-BENZYL-1H-BENZOTRIAZOLE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250602 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260105 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250816 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250114 5g In stock Tianjin Inquiry
  • Product code: SSC-154094
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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: ＞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 4706-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

4706-43-8 / 1-benzylbenzotriazole

Standard CAS: 4706-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4706-43-8
Multi CAS
No
Molecular Formula
C13H11N3
Molecular Weight
209.250000
Exact Mass
209.095297
InChI
InChI=1S/C13H11N3/c1-2-6-11(7-3-1)10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
InChIKey
OQVSPZZIBWDHOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.07
TPSA
30.71

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.9
Consensus LogP
2.52
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

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

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