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CAS 21050-95-3 1-CHLOROBENZOTRIAZOLE molecular structure lightbox
CAS RN: 21050-95-3

1-CHLOROBENZOTRIAZOLE

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251027 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260316 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260625 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-100247
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 100g, 10g, 1g, 5g, 25g, 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21050-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 3 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
25g ≥95% 1 In Stock Hong Kong Inquiry
500g ≥95% 0 Out of Stock Beijing Inquiry

21050-95-3 / 1-chlorobenzotriazole

Standard CAS: 21050-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21050-95-3
Multi CAS
No
Molecular Formula
C6H4ClN3
Molecular Weight
153.570000
Exact Mass
153.009375
SMILES
C1=CC=C2C(=C1)N=NN2Cl
InChI
InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H
InChIKey
INOGLHRUEYDAHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
38.78
TPSA
30.71

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
2.2
Consensus LogP
1.63
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-2.64

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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