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CAS 342617-08-7 3-(3-Bromophenyl)-4H-1,2,4-triazole molecular structure lightbox
CAS RN: 342617-08-7

3-(3-Bromophenyl)-4H-1,2,4-triazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-140545
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 6
  • 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 342617-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.1g ≥98% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g ≥98% 2 In Stock Shanghai Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g ≥98% 2 In Stock Beijing Inquiry

342617-08-7 / 5-(3-bromophenyl)-1H-1,2,4-triazole

Standard CAS: 342617-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
342617-08-7
Multi CAS
No
Molecular Formula
BC8H6Rn3
Molecular Weight
224.060000
Exact Mass
222.974510
InChI
InChI=1S/C8H6BrN3/c9-7-3-1-2-6(4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKey
SSHMLGQRBZYTMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.52
TPSA
41.57

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.3
Consensus LogP
2.17
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
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)
-2.5

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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