CAS RN: 6818-99-1
3-Chloro-1,2,4-triazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260701 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 8-10 business days | Inquiry |
- Product code: SSC-177903
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: 1g, 10g, 25g, 5g, 100g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
6818-99-1 / 5-chloro-1H-1,2,4-triazole
Basic Information
CAS
6818-99-1
Multi CAS
Yes
Molecular Formula
C2H2CLN3
Molecular Weight
103.510000
Exact Mass
102.993725
InChI
InChI=1S/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
InChIKey
QGOUKZPSCTVYLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
21.39
TPSA
41.57
LogP / Solubility
WLOGP
0.46
MLOGP
0.39
XLogP3
0.9
Consensus LogP
0.58
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
-
2-(2-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
- CAS RN: 77989-15-2
- Product Code: SSC-187528
