[email protected]
CAS 214117-50-7 4-(4-BROMOPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE molecular structure lightbox
CAS RN: 214117-50-7

4-(4-BROMOPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-102648
GET A QUOTE
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, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 214117-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

214117-50-7 / 4-(4-bromophenyl)-1H-1,2,4-triazol-5-one

Standard CAS: 214117-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214117-50-7
Multi CAS
No
Molecular Formula
C8H6BrN3O
Molecular Weight
240.060000
Exact Mass
238.969420
SMILES
C1=CC(=CC=C1N2C=NNC2=O)Br
InChI
InChI=1S/C8H6BrN3O/c9-6-1-3-7(4-2-6)12-5-10-11-8(12)13/h1-5H,(H,11,13)
InChIKey
XZOFKUWCLXPJBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.88
TPSA
50.68

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.6
Consensus LogP
1.36
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-3.24

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us