CAS RN: 118863-62-0
3-(4-Bromophenyl)-4H-1,2,4-triazole
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250829 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250728 | 100mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20251215 | 1g | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20251231 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250422 | 25g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251112 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-019094
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
118863-62-0 / 5-(4-bromophenyl)-1H-1,2,4-triazole
3-(4-Bromophenyl)-1H-[1,2,4]triazole | 3-(4-bromophenyl)-4H-1,2,4-triazole | 5-(4-bromophenyl)-1H-1,2,4-triazole
Basic Information
CAS
118863-62-0
Multi CAS
No
Molecular Formula
C8H6BrN3
Molecular Weight
224.060000
Exact Mass
222.974510
SMILES
C1=CC(=CC=C1C2=NC=NN2)Br
InChI
InChI=1S/C8H6BrN3/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKey
XJSPWQRTWATLKK-UHFFFAOYSA-N
Synonyms
3-(4-Bromophenyl)-1H-[1,2,4]triazole
3-(4-bromophenyl)-4H-1,2,4-triazole
5-(4-bromophenyl)-1H-1,2,4-triazole
3-(4-Bromophenyl)-1H-1,2,4-triazole
MFCD16659605
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
Customers Also Viewed
-
![CAS 118863-94-8 (5-AMINO-[1,3,4]THIADIAZOL-2-YL)-ACETIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(5-AMINO-[1,3,4]THIADIAZOL-2-YL)-ACETIC ACID
- CAS RN: 118863-94-8
- Product Code: SSC-019098
-
-
-
-
-
6-(AMinoMethyl)piperidin-2-one hydrochloride
- CAS RN: 118894-94-3
- Product Code: SSC-019120
![CAS 118863-94-8 (5-AMINO-[1,3,4]THIADIAZOL-2-YL)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118863-94-8.gif)
![CAS 118868-67-0 [2-(1-naphthyloxy)ethyl]amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118868-67-0.gif)
