![CAS 441054-54-2 5-[4-(Methylsulfonyl)phenyl]-2H-tetrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/441054-54-2.gif)
CAS RN: 441054-54-2
5-[4-(Methylsulfonyl)phenyl]-2H-tetrazole
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.20250619 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-152143
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: 0.25g, 5g, 25g, 1g, 0.1g, 10g
- Available purity: >95%
- Inventory rows with stock: 8
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 4 In Stock | Shanghai | Inquiry |
| 25g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 1g | -- | 3 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.1g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 10g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >95% | 0 Out of Stock | Beijing | Inquiry |
441054-54-2 / 5-(4-methylsulfonylphenyl)-2H-tetrazole
Basic Information
CAS
441054-54-2
Multi CAS
Yes
Molecular Formula
C8H8N4O2S
Molecular Weight
224.240000
Exact Mass
224.036797
InChI
InChI=1S/C8H8N4O2S/c1-15(13,14)7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey
QNQGKDWSIRANDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.72
TPSA
88.6
LogP / Solubility
WLOGP
0.27
MLOGP
0.24
XLogP3
0.4
Consensus LogP
0.3
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9
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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