CAS RN: 736997-98-1
2-(Methylsulfonyl)-5-nitrotoluene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-183115
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, 5g, 0.1g, 0.25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 4 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 4 In Stock | Beijing | Inquiry |
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
736997-98-1 / 2-methyl-1-methylsulfonyl-4-nitrobenzene
Basic Information
CAS
736997-98-1
Multi CAS
No
Molecular Formula
C8H9NO4S
Molecular Weight
215.230000
Exact Mass
215.025229
InChI
InChI=1S/C8H9NO4S/c1-6-5-7(9(10)11)3-4-8(6)14(2,12)13/h3-5H,1-2H3
InChIKey
YMHQJBGKYCHBND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.94
TPSA
77.28
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
0.8
Consensus LogP
1.09
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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